(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid

C11H12F2O2 — CID 94371784

IUPAC(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
SMILESCC[C@H](Cc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-2-7(11(14)15)5-8-3-4-9(12)6-10(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyVGCKFHPPNZKTHK-SSDOTTSWSA-N
MW214.21 g/mol
LogP2.62
Rot. Bonds4

About (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid

(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid (PubChem CID 94371784) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
PubChem CID94371784
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
SMILESCC[C@H](Cc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2O2/c1-2-7(11(14)15)5-8-3-4-9(12)6-10(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyVGCKFHPPNZKTHK-SSDOTTSWSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-[(2,4-difluorophenyl)methyl]butanoic 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-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
2-[(5-fluoro-2-methylphenyl)methyl]butanoic acid
CID 105372500
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
CID 129353721
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)propanoic acid
CID 102616907
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104792787
2-benzyl-3-(4-bromo-2-fluorophenyl)propanoic acid
CID 60793199
1-(3-chloro-2-ethylbutyl)-2,4-difluorobenzene
CID 63461285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid?
The IUPAC name of (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid (CID 94371784) is (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid?
The canonical SMILES for (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid is CC[C@H](Cc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid?
The InChIKey is VGCKFHPPNZKTHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-7(11(14)15)5-8-3-4-9(12)6-10(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid?
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid is sourced from PubChem (CID 94371784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).