(E)-4-fluoro-3-methylpent-2-enoic acid

C6H9FO2 — CID 23234140

IUPAC(E)-4-fluoro-3-methylpent-2-enoic acid
SMILESC/C(=C\C(=O)O)C(C)F
InChIInChI=1S/C6H9FO2/c1-4(5(2)7)3-6(8)9/h3,5H,1-2H3,(H,8,9)/b4-3+
InChIKeyXEXQHGVUWSXWTK-ONEGZZNKSA-N
MW132.13 g/mol
LogP1.38
Rot. Bonds2

About (E)-4-fluoro-3-methylpent-2-enoic acid

(E)-4-fluoro-3-methylpent-2-enoic acid (PubChem CID 23234140) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (E)-4-fluoro-3-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-fluoro-3-methylpent-2-enoic acid
PubChem CID23234140
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name(E)-4-fluoro-3-methylpent-2-enoic acid
SMILESC/C(=C\C(=O)O)C(C)F
InChIInChI=1S/C6H9FO2/c1-4(5(2)7)3-6(8)9/h3,5H,1-2H3,(H,8,9)/b4-3+
InChIKeyXEXQHGVUWSXWTK-ONEGZZNKSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-fluoro-3-methylpent-2-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 (E)-4-fluoro-3-methylpent-2-enoic acid?
The IUPAC name of (E)-4-fluoro-3-methylpent-2-enoic acid (CID 23234140) is (E)-4-fluoro-3-methylpent-2-enoic acid.
What is the SMILES notation for (E)-4-fluoro-3-methylpent-2-enoic acid?
The canonical SMILES for (E)-4-fluoro-3-methylpent-2-enoic acid is C/C(=C\C(=O)O)C(C)F.
What is the InChIKey of (E)-4-fluoro-3-methylpent-2-enoic acid?
The InChIKey is XEXQHGVUWSXWTK-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9FO2/c1-4(5(2)7)3-6(8)9/h3,5H,1-2H3,(H,8,9)/b4-3+.
What are the key properties of (E)-4-fluoro-3-methylpent-2-enoic acid?
(E)-4-fluoro-3-methylpent-2-enoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-3-methylpent-2-enoic acid is sourced from PubChem (CID 23234140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).