N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide

C7H10F3NO2 — CID 87942768

IUPACN,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide
SMILESCC(=O)C(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4(12)5(7(8,9)10)6(13)11(2)3/h5H,1-3H3
InChIKeyAJKIXSFQDMZMPJ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds2

About N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide

N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide (PubChem CID 87942768) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide
PubChem CID87942768
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide
SMILESCC(=O)C(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4(12)5(7(8,9)10)6(13)11(2)3/h5H,1-3H3
InChIKeyAJKIXSFQDMZMPJ-UHFFFAOYSA-N
XLogP0.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The IUPAC name of N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide (CID 87942768) is N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The canonical SMILES for N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide is CC(=O)C(C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The InChIKey is AJKIXSFQDMZMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4(12)5(7(8,9)10)6(13)11(2)3/h5H,1-3H3.
What are the key properties of N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide?
N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide has a molecular weight of 197.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-oxo-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 87942768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).