2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid

C15H19FO2 — CID 61070769

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H19FO2/c16-13-5-3-12(4-6-13)7-10-15(11-14(17)18)8-1-2-9-15/h3-6H,1-2,7-11H2,(H,17,18)
InChIKeyAOFCTPROQACSJG-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.79
Rot. Bonds5

About 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid

2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid (PubChem CID 61070769) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
PubChem CID61070769
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H19FO2/c16-13-5-3-12(4-6-13)7-10-15(11-14(17)18)8-1-2-9-15/h3-6H,1-2,7-11H2,(H,17,18)
InChIKeyAOFCTPROQACSJG-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic 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

2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
CID 43804838
2-[1-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclopentyl]acetic acid
CID 61070388
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304957
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
7-[4-[4-[1-(carboxymethyl)cyclopropyl]butyl]phenyl]-3,3-dimethylheptanoic acid
CID 164594945
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
2-[1-[2-(3-fluorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004495

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid (CID 61070769) is 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CCc2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid?
The InChIKey is AOFCTPROQACSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-13-5-3-12(4-6-13)7-10-15(11-14(17)18)8-1-2-9-15/h3-6H,1-2,7-11H2,(H,17,18).
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid has a molecular weight of 250.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).