(2S)-2-fluorohex-5-enoic acid

C6H9FO2 — CID 129394906

IUPAC(2S)-2-fluorohex-5-enoic acid
SMILESC=CCC[C@H](F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyMKZFORZVKKSHPO-YFKPBYRVSA-N
MW132.13 g/mol
LogP1.38
Rot. Bonds4

About (2S)-2-fluorohex-5-enoic acid

(2S)-2-fluorohex-5-enoic acid (PubChem CID 129394906) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (2S)-2-fluorohex-5-enoic acid.

Molecular Properties

Compound Name(2S)-2-fluorohex-5-enoic acid
PubChem CID129394906
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name(2S)-2-fluorohex-5-enoic acid
SMILESC=CCC[C@H](F)C(=O)O
InChIInChI=1S/C6H9FO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyMKZFORZVKKSHPO-YFKPBYRVSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-fluorohex-5-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 (2S)-2-fluorohex-5-enoic acid?
The IUPAC name of (2S)-2-fluorohex-5-enoic acid (CID 129394906) is (2S)-2-fluorohex-5-enoic acid.
What is the SMILES notation for (2S)-2-fluorohex-5-enoic acid?
The canonical SMILES for (2S)-2-fluorohex-5-enoic acid is C=CCC[C@H](F)C(=O)O.
What is the InChIKey of (2S)-2-fluorohex-5-enoic acid?
The InChIKey is MKZFORZVKKSHPO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9FO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-fluorohex-5-enoic acid?
(2S)-2-fluorohex-5-enoic acid has a molecular weight of 132.13 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluorohex-5-enoic acid is sourced from PubChem (CID 129394906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).