(2S)-2-fluoro-2-phenylacetic acid

C8H7FO2 — CID 7003723

IUPAC(2S)-2-fluoro-2-phenylacetic acid
SMILESO=C(O)[C@@H](F)c1ccccc1
InChIInChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1
InChIKeyATPPNMLQNZHDOG-ZETCQYMHSA-N
MW154.14 g/mol
LogP1.78
Rot. Bonds2

About (2S)-2-fluoro-2-phenylacetic acid

(2S)-2-fluoro-2-phenylacetic acid (PubChem CID 7003723) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is (2S)-2-fluoro-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-2-phenylacetic acid
PubChem CID7003723
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name(2S)-2-fluoro-2-phenylacetic acid
SMILESO=C(O)[C@@H](F)c1ccccc1
InChIInChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1
InChIKeyATPPNMLQNZHDOG-ZETCQYMHSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-fluoro-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
1-fluoro-1-phenylbutan-2-one
CID 90470836
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
2-fluoro-2-(4-methylsulfanylphenyl)acetic acid
CID 22350081
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-phenylpropanedioic acid;dihydrochloride
CID 68766431
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2S)-2-iodo-2-phenylacetic acid
CID 142067651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-phenylacetic acid?
The IUPAC name of (2S)-2-fluoro-2-phenylacetic acid (CID 7003723) is (2S)-2-fluoro-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-fluoro-2-phenylacetic acid?
The canonical SMILES for (2S)-2-fluoro-2-phenylacetic acid is O=C(O)[C@@H](F)c1ccccc1.
What is the InChIKey of (2S)-2-fluoro-2-phenylacetic acid?
The InChIKey is ATPPNMLQNZHDOG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-phenylacetic acid?
(2S)-2-fluoro-2-phenylacetic acid has a molecular weight of 154.14 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-phenylacetic acid is sourced from PubChem (CID 7003723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).