Input interpretation
![fluorotryptophane](../image_source/32075859c136a9a796a641be4a372b1a.png)
fluorotryptophane
Chemical names and formulas
![formula | C_11H_11FN_2O_2 name | fluorotryptophane IUPAC name | (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid mass fractions | C (carbon) 59.5% | F (fluorine) 8.55% | H (hydrogen) 4.99% | N (nitrogen) 12.6% | O (oxygen) 14.4%](../image_source/f0d6363e0b3bb4f477565ba6da62891b.png)
formula | C_11H_11FN_2O_2 name | fluorotryptophane IUPAC name | (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid mass fractions | C (carbon) 59.5% | F (fluorine) 8.55% | H (hydrogen) 4.99% | N (nitrogen) 12.6% | O (oxygen) 14.4%
Lewis structure
![Draw the Lewis structure of fluorotryptophane. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), and oxygen (n_O, val = 6) atoms: 11 n_C, val + n_F, val + 11 n_H, val + 2 n_N, val + 2 n_O, val = 84 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), and oxygen (n_O, full = 8): 11 n_C, full + n_F, full + 11 n_H, full + 2 n_N, full + 2 n_O, full = 150 Subtracting these two numbers shows that 150 - 84 = 66 bonding electrons are needed. Each bond has two electrons, so in addition to the 28 bonds already present in the diagram add 5 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 5 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom ring is aromatic, so that the single and double bonds may be rearranged: Answer: | |](../image_source/c166dea52ce005529b64f737685364c4.png)
Draw the Lewis structure of fluorotryptophane. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), fluorine (n_F, val = 7), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), and oxygen (n_O, val = 6) atoms: 11 n_C, val + n_F, val + 11 n_H, val + 2 n_N, val + 2 n_O, val = 84 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), fluorine (n_F, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), and oxygen (n_O, full = 8): 11 n_C, full + n_F, full + 11 n_H, full + 2 n_N, full + 2 n_O, full = 150 Subtracting these two numbers shows that 150 - 84 = 66 bonding electrons are needed. Each bond has two electrons, so in addition to the 28 bonds already present in the diagram add 5 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 5 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom ring is aromatic, so that the single and double bonds may be rearranged: Answer: | |
3D structure
![3D structure](../image_source/178b3c675f8ccd2328c23923f88a5e88.png)
3D structure
Basic properties
![molar mass | 222.22 g/mol phase | solid (at STP)](../image_source/21a3023f6c1017f04492ae98d6cf72c3.png)
molar mass | 222.22 g/mol phase | solid (at STP)
Units
Hydrophobicity and permeability properties
![predicted LogP hydrophobicity | -1.01 predicted LogS | -2.26](../image_source/8e282b3af7f56b1de0a4e9415dd5e300.png)
predicted LogP hydrophobicity | -1.01 predicted LogS | -2.26
Basic drug properties
![approval status | experimental | small molecule](../image_source/52f404120928f7a124acf3b7ff818bef.png)
approval status | experimental | small molecule
Chemical identifiers
![CAS number | 16626-02-1 PubChem CID number | 688357 PubChem SID number | 16046265 SMILES identifier | C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N InChI identifier | InChI=1/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2, 4-5, 9, 14H, 3, 13H2, (H, 15, 16)/t9-/m0/s1/f/h15H InChI key | INPQIVHQSQUEAJ-GTNTULIADJ](../image_source/63727dc9d4f01cf8cc5fd38b6316427b.png)
CAS number | 16626-02-1 PubChem CID number | 688357 PubChem SID number | 16046265 SMILES identifier | C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N InChI identifier | InChI=1/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2, 4-5, 9, 14H, 3, 13H2, (H, 15, 16)/t9-/m0/s1/f/h15H InChI key | INPQIVHQSQUEAJ-GTNTULIADJ