1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid

C18H16F2O2 — CID 117486987

IUPAC1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CCCC1
InChIInChI=1S/C18H16F2O2/c19-14-6-3-12(4-7-14)13-5-8-16(20)15(11-13)18(17(21)22)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,21,22)
InChIKeyIZGALUDKAIHAON-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.53
Rot. Bonds3

About 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117486987) has the molecular formula C18H16F2O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117486987
Molecular FormulaC18H16F2O2
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CCCC1
InChIInChI=1S/C18H16F2O2/c19-14-6-3-12(4-7-14)13-5-8-16(20)15(11-13)18(17(21)22)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,21,22)
InChIKeyIZGALUDKAIHAON-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-fluoro-5-(4-fluorophenyl)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-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid (CID 117486987) is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CCCC1.
What is the InChIKey of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is IZGALUDKAIHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O2/c19-14-6-3-12(4-7-14)13-5-8-16(20)15(11-13)18(17(21)22)9-1-2-10-18/h3-8,11H,1-2,9-10H2,(H,21,22).
What are the key properties of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 302.32 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117486987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).