2,2,3-trifluorobutanamide

C4H6F3NO — CID 54126373

IUPAC2,2,3-trifluorobutanamide
SMILESCC(F)C(F)(F)C(N)=O
InChIInChI=1S/C4H6F3NO/c1-2(5)4(6,7)3(8)9/h2H,1H3,(H2,8,9)
InChIKeyNRGBUGMONYSUKP-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.47
Rot. Bonds2

About 2,2,3-trifluorobutanamide

2,2,3-trifluorobutanamide (PubChem CID 54126373) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 2,2,3-trifluorobutanamide.

Molecular Properties

Compound Name2,2,3-trifluorobutanamide
PubChem CID54126373
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name2,2,3-trifluorobutanamide
SMILESCC(F)C(F)(F)C(N)=O
InChIInChI=1S/C4H6F3NO/c1-2(5)4(6,7)3(8)9/h2H,1H3,(H2,8,9)
InChIKeyNRGBUGMONYSUKP-UHFFFAOYSA-N
XLogP0.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trifluorobutanamide 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 2,2,3-trifluorobutanamide?
The IUPAC name of 2,2,3-trifluorobutanamide (CID 54126373) is 2,2,3-trifluorobutanamide.
What is the SMILES notation for 2,2,3-trifluorobutanamide?
The canonical SMILES for 2,2,3-trifluorobutanamide is CC(F)C(F)(F)C(N)=O.
What is the InChIKey of 2,2,3-trifluorobutanamide?
The InChIKey is NRGBUGMONYSUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-2(5)4(6,7)3(8)9/h2H,1H3,(H2,8,9).
What are the key properties of 2,2,3-trifluorobutanamide?
2,2,3-trifluorobutanamide has a molecular weight of 141.09 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluorobutanamide is sourced from PubChem (CID 54126373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).