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

C7H11FO2 — CID 55301220

IUPAC(E)-2-fluoro-3-methylhex-4-enoic acid
SMILESC/C=C/C(C)C(F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-3-4-5(2)6(8)7(9)10/h3-6H,1-2H3,(H,9,10)/b4-3+
InChIKeyKZZLYXJNSLKXQX-ONEGZZNKSA-N
MW146.16 g/mol
LogP1.62
Rot. Bonds3

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

(E)-2-fluoro-3-methylhex-4-enoic acid (PubChem CID 55301220) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E)-2-fluoro-3-methylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-fluoro-3-methylhex-4-enoic acid
PubChem CID55301220
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E)-2-fluoro-3-methylhex-4-enoic acid
SMILESC/C=C/C(C)C(F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-3-4-5(2)6(8)7(9)10/h3-6H,1-2H3,(H,9,10)/b4-3+
InChIKeyKZZLYXJNSLKXQX-ONEGZZNKSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-fluoro-3-methylhex-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

Related Compounds

2-Methyl-4-pentenoic acid
CID 549519
(4E)-4-Heptenoic acid
CID 5282711
4-Octenoic acid, (4E)-
CID 6433715
3-Methyl-4-pentenoic acid
CID 3456032
Hex-4-enoic acid
CID 638127
1,4-Dihydro-2-methylbenzoic acid
CID 564581
3-Cyclopentene-1-carboxylic acid
CID 853756
5-Methyl-4-hexenoic acid
CID 12425324
4-Hexenoic acid
CID 101384
(4Z)-4-Heptenoic acid
CID 5312595
(2R)-2-Methylpent-4-enoic acid
CID 7167861
(4E)-2-methylhex-4-enoic acid
CID 10290806

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-methylhex-4-enoic acid?
The IUPAC name of (E)-2-fluoro-3-methylhex-4-enoic acid (CID 55301220) is (E)-2-fluoro-3-methylhex-4-enoic acid.
What is the SMILES notation for (E)-2-fluoro-3-methylhex-4-enoic acid?
The canonical SMILES for (E)-2-fluoro-3-methylhex-4-enoic acid is C/C=C/C(C)C(F)C(=O)O.
What is the InChIKey of (E)-2-fluoro-3-methylhex-4-enoic acid?
The InChIKey is KZZLYXJNSLKXQX-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H11FO2/c1-3-4-5(2)6(8)7(9)10/h3-6H,1-2H3,(H,9,10)/b4-3+.
What are the key properties of (E)-2-fluoro-3-methylhex-4-enoic acid?
(E)-2-fluoro-3-methylhex-4-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-methylhex-4-enoic acid is sourced from PubChem (CID 55301220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).