2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid

C14H17FO2 — CID 84727333

IUPAC2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
SMILESCC(F)C1(c2ccccc2C(=O)O)CCCC1
InChIInChI=1S/C14H17FO2/c1-10(15)14(8-4-5-9-14)12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyHWDZXZDFWRELSH-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid

2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid (PubChem CID 84727333) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid.

Molecular Properties

Compound Name2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
PubChem CID84727333
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
SMILESCC(F)C1(c2ccccc2C(=O)O)CCCC1
InChIInChI=1S/C14H17FO2/c1-10(15)14(8-4-5-9-14)12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyHWDZXZDFWRELSH-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid?
The IUPAC name of 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid (CID 84727333) is 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid.
What is the SMILES notation for 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid?
The canonical SMILES for 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid is CC(F)C1(c2ccccc2C(=O)O)CCCC1.
What is the InChIKey of 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid?
The InChIKey is HWDZXZDFWRELSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10(15)14(8-4-5-9-14)12-7-3-2-6-11(12)13(16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid?
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid has a molecular weight of 236.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid is sourced from PubChem (CID 84727333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).