2,3,3-trifluoro-2-methylpropanamide

C4H6F3NO — CID 139700951

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

About 2,3,3-trifluoro-2-methylpropanamide

2,3,3-trifluoro-2-methylpropanamide (PubChem CID 139700951) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2,3,3-trifluoro-2-methylpropanamide
PubChem CID139700951
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name2,3,3-trifluoro-2-methylpropanamide
SMILESCC(F)(C(N)=O)C(F)F
InChIInChI=1S/C4H6F3NO/c1-4(7,2(5)6)3(8)9/h2H,1H3,(H2,8,9)
InChIKeyXCUSZMYRLFXZRV-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 2,3,3-trifluoro-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trifluoro-2-methylpropanoic acid
CID 20511543
(2R)-2-(difluoromethyl)-2,3-dimethylbutanamide
CID 140943328
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
(2R)-2-(difluoromethyl)-2-methylbutanamide
CID 166913083
formic acid;2,2,3,3-tetrafluoropropanamide
CID 174655254
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
2,2,3-trifluoro-3-hydroxybutanamide
CID 123215830
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
acetic acid;2,2,2-trifluoroacetamide
CID 172805732
2-amino-5,5-difluoro-4,4-dimethylpentanamide
CID 129050773
2-fluoro-2-methylpentanamide
CID 134346431
2-(2,2-difluoroethylamino)-2-methylpropanamide
CID 61220948

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2,3,3-trifluoro-2-methylpropanamide (CID 139700951) is 2,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2,3,3-trifluoro-2-methylpropanamide is CC(F)(C(N)=O)C(F)F.
What is the InChIKey of 2,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XCUSZMYRLFXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c1-4(7,2(5)6)3(8)9/h2H,1H3,(H2,8,9).
What are the key properties of 2,3,3-trifluoro-2-methylpropanamide?
2,3,3-trifluoro-2-methylpropanamide 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 2,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 139700951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).