3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C4H3F6NO — CID 2729411

IUPAC3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6NO/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H2,11,12)
InChIKeyKPWFATPAUOGJKM-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.21
Rot. Bonds1

About 3,3,3-trifluoro-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 2729411) has the molecular formula C4H3F6NO and a molecular weight of 195.06 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID2729411
Molecular FormulaC4H3F6NO
Molecular Weight195.06 g/mol
Exact Mass195.01
IUPAC Name3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F6NO/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H2,11,12)
InChIKeyKPWFATPAUOGJKM-UHFFFAOYSA-N
XLogP1.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3,3-trifluoro-2-(trifluoromethyl)propanamide 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

2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propanamide
CID 14569600
2,2,3,3-Tetrafluoro-propionamide
CID 2776734
2,3,3,3-Tetrafluoropropanamide
CID 2776736
2-(Trifluoromethyl) propionamide
CID 22621278
Hexafluoroisopropylacetamide
CID 129794426
4,4,4-Trifluoro-2-(trifluoromethyl)butanamide
CID 14248120
2-(Difluoromethyl)-4,4-difluorobutanamide
CID 138973948
3,3,3-Trifluoro-N,2-bis(trifluoromethyl)propanamide
CID 13584619
(2S)-3,3,3-trifluoro-2-methylpropanamide
CID 87152928
3,3-Difluoro-2-methylpropanamide
CID 87189553
2-(Difluoromethyl)-3,3-difluoropropanamide
CID 87189773
3-Fluoro-2-(fluoromethyl)propanamide
CID 87189789

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 2729411) is 3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is KPWFATPAUOGJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6NO/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H2,11,12).
What are the key properties of 3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 195.06 g/mol, XLogP of 1.21, 1 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-(trifluoromethyl)propanamide is sourced from PubChem (CID 2729411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).