4,4,4-trifluoro-2,2-dimethylbutanamide

C6H10F3NO — CID 10080782

IUPAC4,4,4-trifluoro-2,2-dimethylbutanamide
SMILESCC(C)(CC(F)(F)F)C(N)=O
InChIInChI=1S/C6H10F3NO/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11)
InChIKeyMKQIYWROMLXNTA-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.45
Rot. Bonds2

About 4,4,4-trifluoro-2,2-dimethylbutanamide

4,4,4-trifluoro-2,2-dimethylbutanamide (PubChem CID 10080782) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2,2-dimethylbutanamide
PubChem CID10080782
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name4,4,4-trifluoro-2,2-dimethylbutanamide
SMILESCC(C)(CC(F)(F)F)C(N)=O
InChIInChI=1S/C6H10F3NO/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11)
InChIKeyMKQIYWROMLXNTA-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-2,2-dimethylbutanamide 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 4,4,4-trifluoro-2,2-dimethylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2,2-dimethylbutanamide (CID 10080782) is 4,4,4-trifluoro-2,2-dimethylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2,2-dimethylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2,2-dimethylbutanamide is CC(C)(CC(F)(F)F)C(N)=O.
What is the InChIKey of 4,4,4-trifluoro-2,2-dimethylbutanamide?
The InChIKey is MKQIYWROMLXNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H2,10,11).
What are the key properties of 4,4,4-trifluoro-2,2-dimethylbutanamide?
4,4,4-trifluoro-2,2-dimethylbutanamide has a molecular weight of 169.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,2-dimethylbutanamide is sourced from PubChem (CID 10080782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).