N-methyl-N-(trifluoromethyl)propanamide

C5H8F3NO — CID 20642405

IUPACN-methyl-N-(trifluoromethyl)propanamide
SMILESCCC(=O)N(C)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3-4(10)9(2)5(6,7)8/h3H2,1-2H3
InChIKeyNKCPRBWRVCSOJJ-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.37
Rot. Bonds1

About N-methyl-N-(trifluoromethyl)propanamide

N-methyl-N-(trifluoromethyl)propanamide (PubChem CID 20642405) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethyl)propanamide
PubChem CID20642405
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN-methyl-N-(trifluoromethyl)propanamide
SMILESCCC(=O)N(C)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3-4(10)9(2)5(6,7)8/h3H2,1-2H3
InChIKeyNKCPRBWRVCSOJJ-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-methyl-N-(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

Propanamide, N,N-dimethyl-
CID 12965
3,3,3-trifluoro-N,N-dimethylpropanamide
CID 15104044
2,2-Difluoro-N,N-dimethylacetamide
CID 6432632
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692
3,3,3-Trifluoro-N,N-dimethyl-2-(trifluoromethyl)propanamide
CID 613887
Acetic acid, trifluoro, N,N-dipropyl
CID 524010
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N,N-Diethyl-3,3,3-trifluoropropanamide
CID 14383591
Dimethylamine, N-pentafluoropropionyl-
CID 20503877
N,N-Diethyl-2,2-difluoropropanamide
CID 10909906
N,N-diethyl-2,2,3,3,3-pentafluoropropanamide
CID 12647417

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethyl)propanamide?
The IUPAC name of N-methyl-N-(trifluoromethyl)propanamide (CID 20642405) is N-methyl-N-(trifluoromethyl)propanamide.
What is the SMILES notation for N-methyl-N-(trifluoromethyl)propanamide?
The canonical SMILES for N-methyl-N-(trifluoromethyl)propanamide is CCC(=O)N(C)C(F)(F)F.
What is the InChIKey of N-methyl-N-(trifluoromethyl)propanamide?
The InChIKey is NKCPRBWRVCSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3-4(10)9(2)5(6,7)8/h3H2,1-2H3.
What are the key properties of N-methyl-N-(trifluoromethyl)propanamide?
N-methyl-N-(trifluoromethyl)propanamide has a molecular weight of 155.12 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethyl)propanamide is sourced from PubChem (CID 20642405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).