N,N-dimethyl-2-(trifluoromethyl)butanamide

C7H12F3NO — CID 87943851

IUPACN,N-dimethyl-2-(trifluoromethyl)butanamide
SMILESCCC(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4-5(7(8,9)10)6(12)11(2)3/h5H,4H2,1-3H3
InChIKeyKWCNMRSAVPIWDI-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.66
Rot. Bonds2

About N,N-dimethyl-2-(trifluoromethyl)butanamide

N,N-dimethyl-2-(trifluoromethyl)butanamide (PubChem CID 87943851) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethyl)butanamide
PubChem CID87943851
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN,N-dimethyl-2-(trifluoromethyl)butanamide
SMILESCCC(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4-5(7(8,9)10)6(12)11(2)3/h5H,4H2,1-3H3
InChIKeyKWCNMRSAVPIWDI-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
2-(trifluoromethyl)butanoyl chloride
CID 87603675
2-fluoro-N,N-dimethylbutanamide
CID 14592376
N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide
CID 87942768
2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
CID 175815324
2-amino-N,N-dimethylbutanamide
CID 43649466
(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
2-(2-hydroxybutylamino)-N,N-dimethylpropanamide
CID 61464462
2-(2-hydroxypropan-2-yl)-N,N-dimethylhexanamide
CID 23126581
(2R)-4-[ethyl(methyl)amino]-2-(trifluoromethyl)butanoic acid
CID 145260133
2-fluoro-N,N-dimethylpentanamide
CID 135391133
2-(trifluoromethyl)pentanoic acid
CID 20539748

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethyl)butanamide?
The IUPAC name of N,N-dimethyl-2-(trifluoromethyl)butanamide (CID 87943851) is N,N-dimethyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethyl)butanamide is CCC(C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethyl)butanamide?
The InChIKey is KWCNMRSAVPIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4-5(7(8,9)10)6(12)11(2)3/h5H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethyl)butanamide?
N,N-dimethyl-2-(trifluoromethyl)butanamide has a molecular weight of 183.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 87943851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).