3-methyl-2-(trifluoromethyl)butanamide

C6H10F3NO — CID 59458991

IUPAC3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3(2)4(5(10)11)6(7,8)9/h3-4H,1-2H3,(H2,10,11)
InChIKeyVWXQDNDVSYIMRM-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-2-(trifluoromethyl)butanamide

3-methyl-2-(trifluoromethyl)butanamide (PubChem CID 59458991) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)butanamide
PubChem CID59458991
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-methyl-2-(trifluoromethyl)butanamide
SMILESCC(C)C(C(N)=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3(2)4(5(10)11)6(7,8)9/h3-4H,1-2H3,(H2,10,11)
InChIKeyVWXQDNDVSYIMRM-UHFFFAOYSA-N
XLogP1.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-(trifluoromethyl)butanamide 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 3-methyl-2-(trifluoromethyl)butanamide?
The IUPAC name of 3-methyl-2-(trifluoromethyl)butanamide (CID 59458991) is 3-methyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)butanamide is CC(C)C(C(N)=O)C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)butanamide?
The InChIKey is VWXQDNDVSYIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3(2)4(5(10)11)6(7,8)9/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 3-methyl-2-(trifluoromethyl)butanamide?
3-methyl-2-(trifluoromethyl)butanamide has a molecular weight of 169.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 59458991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).