2-(3,5-difluorophenyl)-4-methylpentanoic acid

C12H14F2O2 — CID 82081315

IUPAC2-(3,5-difluorophenyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2O2/c1-7(2)3-11(12(15)16)8-4-9(13)6-10(14)5-8/h4-7,11H,3H2,1-2H3,(H,15,16)
InChIKeySATXZOUBHZEMCZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,5-difluorophenyl)-4-methylpentanoic acid

2-(3,5-difluorophenyl)-4-methylpentanoic acid (PubChem CID 82081315) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-methylpentanoic acid
PubChem CID82081315
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(3,5-difluorophenyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H14F2O2/c1-7(2)3-11(12(15)16)8-4-9(13)6-10(14)5-8/h4-7,11H,3H2,1-2H3,(H,15,16)
InChIKeySATXZOUBHZEMCZ-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-difluorophenyl)-4-methylpentanoic 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

4-chloro-2-(3,5-difluorophenyl)butanoic acid
CID 90987442
(2S)-2-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 52939724
carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
2-(aminomethyl)-4-(3,5-difluorophenyl)pentanoic acid
CID 69269835
2-[3-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 59004709
2-[3-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 25271281
(2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 131723865
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
2-[2-(3,5-difluorophenyl)propyl-methylamino]propanoic acid
CID 122036895
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-methylpentanoic acid?
The IUPAC name of 2-(3,5-difluorophenyl)-4-methylpentanoic acid (CID 82081315) is 2-(3,5-difluorophenyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-methylpentanoic acid?
The InChIKey is SATXZOUBHZEMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-7(2)3-11(12(15)16)8-4-9(13)6-10(14)5-8/h4-7,11H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-difluorophenyl)-4-methylpentanoic acid?
2-(3,5-difluorophenyl)-4-methylpentanoic acid has a molecular weight of 228.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-methylpentanoic acid is sourced from PubChem (CID 82081315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).