3-fluoropent-4-enoic acid

C5H7FO2 — CID 55302928

IUPAC3-fluoropent-4-enoic acid
SMILESC=CC(F)CC(=O)O
InChIInChI=1S/C5H7FO2/c1-2-4(6)3-5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyVFNNCUKOPJUKGO-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.99
Rot. Bonds3

About 3-fluoropent-4-enoic acid

3-fluoropent-4-enoic acid (PubChem CID 55302928) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-fluoropent-4-enoic acid.

Molecular Properties

Compound Name3-fluoropent-4-enoic acid
PubChem CID55302928
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name3-fluoropent-4-enoic acid
SMILESC=CC(F)CC(=O)O
InChIInChI=1S/C5H7FO2/c1-2-4(6)3-5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyVFNNCUKOPJUKGO-UHFFFAOYSA-N
XLogP0.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoropent-4-enoic 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 3-fluoropent-4-enoic acid?
The IUPAC name of 3-fluoropent-4-enoic acid (CID 55302928) is 3-fluoropent-4-enoic acid.
What is the SMILES notation for 3-fluoropent-4-enoic acid?
The canonical SMILES for 3-fluoropent-4-enoic acid is C=CC(F)CC(=O)O.
What is the InChIKey of 3-fluoropent-4-enoic acid?
The InChIKey is VFNNCUKOPJUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c1-2-4(6)3-5(7)8/h2,4H,1,3H2,(H,7,8).
What are the key properties of 3-fluoropent-4-enoic acid?
3-fluoropent-4-enoic acid has a molecular weight of 118.11 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropent-4-enoic acid is sourced from PubChem (CID 55302928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).