2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide

C6H9F4NO — CID 138975393

IUPAC2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide
SMILESCNC(=O)C(CC(F)F)C(F)F
InChIInChI=1S/C6H9F4NO/c1-11-6(12)3(5(9)10)2-4(7)8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyCKPFCGVPVHJTLY-UHFFFAOYSA-N
MW187.14 g/mol
LogP1.27
Rot. Bonds4

About 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide

2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide (PubChem CID 138975393) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide.

Molecular Properties

Compound Name2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide
PubChem CID138975393
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC Name2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide
SMILESCNC(=O)C(CC(F)F)C(F)F
InChIInChI=1S/C6H9F4NO/c1-11-6(12)3(5(9)10)2-4(7)8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyCKPFCGVPVHJTLY-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide 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-(difluoromethyl)-4,4-difluoro-N-methylbutanamide?
The IUPAC name of 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide (CID 138975393) is 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide.
What is the SMILES notation for 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide?
The canonical SMILES for 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide is CNC(=O)C(CC(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide?
The InChIKey is CKPFCGVPVHJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO/c1-11-6(12)3(5(9)10)2-4(7)8/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide?
2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide has a molecular weight of 187.14 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,4-difluoro-N-methylbutanamide is sourced from PubChem (CID 138975393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).