4-(2,6-difluorophenyl)pentanoic acid

C11H12F2O2 — CID 135358255

IUPAC4-(2,6-difluorophenyl)pentanoic acid
SMILESCC(CCC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyBQBRDXOUMNEAEA-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.93
Rot. Bonds4

About 4-(2,6-difluorophenyl)pentanoic acid

4-(2,6-difluorophenyl)pentanoic acid (PubChem CID 135358255) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)pentanoic acid.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)pentanoic acid
PubChem CID135358255
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name4-(2,6-difluorophenyl)pentanoic acid
SMILESCC(CCC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyBQBRDXOUMNEAEA-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2,6-difluorophenyl)pentanoic 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

5-(2,6-difluorophenyl)hexan-2-one
CID 83925322
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
5-[2-(2,6-difluorophenyl)propanoyl-methylamino]pentanoic acid
CID 146145494
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414912
2-(2,6-difluorophenyl)hexan-3-one
CID 83046956

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)pentanoic acid?
The IUPAC name of 4-(2,6-difluorophenyl)pentanoic acid (CID 135358255) is 4-(2,6-difluorophenyl)pentanoic acid.
What is the SMILES notation for 4-(2,6-difluorophenyl)pentanoic acid?
The canonical SMILES for 4-(2,6-difluorophenyl)pentanoic acid is CC(CCC(=O)O)c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)pentanoic acid?
The InChIKey is BQBRDXOUMNEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 4-(2,6-difluorophenyl)pentanoic acid?
4-(2,6-difluorophenyl)pentanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)pentanoic acid is sourced from PubChem (CID 135358255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).