(2S)-2-(2,5-difluorophenyl)propanoic acid

C9H8F2O2 — CID 93182242

IUPAC(2S)-2-(2,5-difluorophenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2O2/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyUAZZQZBWOSBFOW-YFKPBYRVSA-N
MW186.16 g/mol
LogP2.15
Rot. Bonds2

About (2S)-2-(2,5-difluorophenyl)propanoic acid

(2S)-2-(2,5-difluorophenyl)propanoic acid (PubChem CID 93182242) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)propanoic acid
PubChem CID93182242
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2S)-2-(2,5-difluorophenyl)propanoic acid
SMILESC[C@H](C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C9H8F2O2/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1
InChIKeyUAZZQZBWOSBFOW-YFKPBYRVSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(2,5-difluorophenyl)propanoic 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-(2,5-difluorophenyl)propanamide
CID 141213802
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
2-(2-fluoro-5-nitrophenyl)propanoic acid
CID 13388010
2-(2-cyano-4-fluorophenyl)propanoic acid
CID 130135521
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)propanoic acid (CID 93182242) is (2S)-2-(2,5-difluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)propanoic acid is C[C@H](C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)propanoic acid?
The InChIKey is UAZZQZBWOSBFOW-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(9(12)13)7-4-6(10)2-3-8(7)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)propanoic acid?
(2S)-2-(2,5-difluorophenyl)propanoic acid has a molecular weight of 186.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)propanoic acid is sourced from PubChem (CID 93182242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).