(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid

C9H8F3NO2 — CID 10846511

IUPAC(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
SMILESN[C@@H](Cc1c(F)cc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F3NO2/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3,13H2,(H,14,15)/t8-/m0/s1
InChIKeyFFQWNGIXCCSUNO-QMMMGPOBSA-N
MW219.16 g/mol
LogP1.06
Rot. Bonds3

About (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid

(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid (PubChem CID 10846511) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
PubChem CID10846511
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
SMILESN[C@@H](Cc1c(F)cc(F)cc1F)C(=O)O
InChIInChI=1S/C9H8F3NO2/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3,13H2,(H,14,15)/t8-/m0/s1
InChIKeyFFQWNGIXCCSUNO-QMMMGPOBSA-N
XLogP1.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 6992999
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid
CID 15677225
(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-amino-3-(5,7-difluoro-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142411299
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
ethyl 2-chloro-3-(2,4,6-trifluorophenyl)propanoate
CID 83197240
[4-[(2S)-2-amino-2-carboxyethyl]-2,6-difluorophenyl](211At)astatine-211
CID 86279563
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid (CID 10846511) is (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid is N[C@@H](Cc1c(F)cc(F)cc1F)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid?
The InChIKey is FFQWNGIXCCSUNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-4-1-6(11)5(7(12)2-4)3-8(13)9(14)15/h1-2,8H,3,13H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid?
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid has a molecular weight of 219.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid is sourced from PubChem (CID 10846511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).