2-fluoro-3-hydroxy-3-methylhex-4-enoic acid

C7H11FO3 — CID 79367366

IUPAC2-fluoro-3-hydroxy-3-methylhex-4-enoic acid
SMILESCC=CC(C)(O)C(F)C(=O)O
InChIInChI=1S/C7H11FO3/c1-3-4-7(2,11)5(8)6(9)10/h3-5,11H,1-2H3,(H,9,10)
InChIKeyBUCXGMUGVPCPDE-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.74
Rot. Bonds3

About 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid

2-fluoro-3-hydroxy-3-methylhex-4-enoic acid (PubChem CID 79367366) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-methylhex-4-enoic acid
PubChem CID79367366
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-3-hydroxy-3-methylhex-4-enoic acid
SMILESCC=CC(C)(O)C(F)C(=O)O
InChIInChI=1S/C7H11FO3/c1-3-4-7(2,11)5(8)6(9)10/h3-5,11H,1-2H3,(H,9,10)
InChIKeyBUCXGMUGVPCPDE-UHFFFAOYSA-N
XLogP0.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid (CID 79367366) is 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid is CC=CC(C)(O)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid?
The InChIKey is BUCXGMUGVPCPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-3-4-7(2,11)5(8)6(9)10/h3-5,11H,1-2H3,(H,9,10).
What are the key properties of 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid?
2-fluoro-3-hydroxy-3-methylhex-4-enoic acid has a molecular weight of 162.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-methylhex-4-enoic acid is sourced from PubChem (CID 79367366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).