1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

C14H16F2O3 — CID 117428758

IUPAC1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1cc(F)c(C2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H16F2O3/c1-19-8-9-6-12(16)10(7-11(9)15)14(13(17)18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,17,18)
InChIKeyCDQDWGQUOSPUQV-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.01
Rot. Bonds4

About 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117428758) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117428758
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCOCc1cc(F)c(C2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H16F2O3/c1-19-8-9-6-12(16)10(7-11(9)15)14(13(17)18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,17,18)
InChIKeyCDQDWGQUOSPUQV-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,5-difluoro-4-(methoxymethyl)phenyl]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-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-[5-bromo-2-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117481795

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117428758) is 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is COCc1cc(F)c(C2(C(=O)O)CCCC2)cc1F.
What is the InChIKey of 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is CDQDWGQUOSPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-19-8-9-6-12(16)10(7-11(9)15)14(13(17)18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117428758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).