2-(difluoromethylidene)-3-methylbutanoic acid

C6H8F2O2 — CID 142451091

IUPAC2-(difluoromethylidene)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)=C(F)F
InChIInChI=1S/C6H8F2O2/c1-3(2)4(5(7)8)6(9)10/h3H,1-2H3,(H,9,10)
InChIKeyGEBUCYYYVVNLBO-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.88
Rot. Bonds2

About 2-(difluoromethylidene)-3-methylbutanoic acid

2-(difluoromethylidene)-3-methylbutanoic acid (PubChem CID 142451091) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2-(difluoromethylidene)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(difluoromethylidene)-3-methylbutanoic acid
PubChem CID142451091
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2-(difluoromethylidene)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)=C(F)F
InChIInChI=1S/C6H8F2O2/c1-3(2)4(5(7)8)6(9)10/h3H,1-2H3,(H,9,10)
InChIKeyGEBUCYYYVVNLBO-UHFFFAOYSA-N
XLogP1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(difluoromethylidene)-3-methylbutanoic 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-(difluoromethylidene)-3-methylbutanoic acid?
The IUPAC name of 2-(difluoromethylidene)-3-methylbutanoic acid (CID 142451091) is 2-(difluoromethylidene)-3-methylbutanoic acid.
What is the SMILES notation for 2-(difluoromethylidene)-3-methylbutanoic acid?
The canonical SMILES for 2-(difluoromethylidene)-3-methylbutanoic acid is CC(C)C(C(=O)O)=C(F)F.
What is the InChIKey of 2-(difluoromethylidene)-3-methylbutanoic acid?
The InChIKey is GEBUCYYYVVNLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-3(2)4(5(7)8)6(9)10/h3H,1-2H3,(H,9,10).
What are the key properties of 2-(difluoromethylidene)-3-methylbutanoic acid?
2-(difluoromethylidene)-3-methylbutanoic acid has a molecular weight of 150.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-3-methylbutanoic acid is sourced from PubChem (CID 142451091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).