3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide

C7H12F3NO — CID 130717889

IUPAC3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12)
InChIKeyQAJUHXLEXULFAS-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.71
Rot. Bonds2

About 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide

3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide (PubChem CID 130717889) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
PubChem CID130717889
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12)
InChIKeyQAJUHXLEXULFAS-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide 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 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide (CID 130717889) is 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is QAJUHXLEXULFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)11-6(12)5(3)7(8,9)10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide?
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 183.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 130717889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).