1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid

C13H14F2O3 — CID 117393686

IUPAC1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C2(C(=O)O)CCCC2)c(F)c1
InChIInChI=1S/C13H14F2O3/c1-18-8-6-9(14)11(10(15)7-8)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyDJYAUMXGXAZVRH-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid

1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117393686) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117393686
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1cc(F)c(C2(C(=O)O)CCCC2)c(F)c1
InChIInChI=1S/C13H14F2O3/c1-18-8-6-9(14)11(10(15)7-8)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyDJYAUMXGXAZVRH-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic 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

1-(2-chloro-4,6-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458267
4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(4-fluoro-2-hydroxy-6-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117424298
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117388603
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 117393686) is 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid is COc1cc(F)c(C2(C(=O)O)CCCC2)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is DJYAUMXGXAZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-18-8-6-9(14)11(10(15)7-8)13(12(16)17)4-2-3-5-13/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117393686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).