1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid

C12H11FO2 — CID 65353547

IUPAC1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2)CC=CC1
InChIInChI=1S/C12H11FO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h1-6H,7-8H2,(H,14,15)
InChIKeyLYRLSIHTETVFCT-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid

1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid (PubChem CID 65353547) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid
PubChem CID65353547
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2)CC=CC1
InChIInChI=1S/C12H11FO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h1-6H,7-8H2,(H,14,15)
InChIKeyLYRLSIHTETVFCT-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)cyclopent-3-ene-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid (CID 65353547) is 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid is O=C(O)C1(c2ccc(F)cc2)CC=CC1.
What is the InChIKey of 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid?
The InChIKey is LYRLSIHTETVFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h1-6H,7-8H2,(H,14,15).
What are the key properties of 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid?
1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid has a molecular weight of 206.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 65353547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).