2,2,2-trifluoro-N-pentan-3-ylacetamide

C7H12F3NO — CID 592909

IUPAC2,2,2-trifluoro-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyIYTGNWJIOGNLOW-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.85
Rot. Bonds3

About 2,2,2-trifluoro-N-pentan-3-ylacetamide

2,2,2-trifluoro-N-pentan-3-ylacetamide (PubChem CID 592909) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pentan-3-ylacetamide
PubChem CID592909
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2,2,2-trifluoro-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyIYTGNWJIOGNLOW-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-pentan-3-ylacetamide 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 2,2,2-trifluoro-N-pentan-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pentan-3-ylacetamide (CID 592909) is 2,2,2-trifluoro-N-pentan-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pentan-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pentan-3-ylacetamide is CCC(CC)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pentan-3-ylacetamide?
The InChIKey is IYTGNWJIOGNLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-5(4-2)11-6(12)7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-pentan-3-ylacetamide?
2,2,2-trifluoro-N-pentan-3-ylacetamide has a molecular weight of 183.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pentan-3-ylacetamide is sourced from PubChem (CID 592909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).