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

C8H12F3NO2 — CID 87944285

IUPACN,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide
SMILESCC(=O)C(C)(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(13)7(2,8(9,10)11)6(14)12(3)4/h1-4H3
InChIKeyUGNVGSYDAYAYLX-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds2

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

N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide (PubChem CID 87944285) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide
PubChem CID87944285
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide
SMILESCC(=O)C(C)(C(=O)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(13)7(2,8(9,10)11)6(14)12(3)4/h1-4H3
InChIKeyUGNVGSYDAYAYLX-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
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,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The IUPAC name of N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide (CID 87944285) is N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide.
What is the SMILES notation for N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The canonical SMILES for N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide is CC(=O)C(C)(C(=O)N(C)C)C(F)(F)F.
What is the InChIKey of N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide?
The InChIKey is UGNVGSYDAYAYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(13)7(2,8(9,10)11)6(14)12(3)4/h1-4H3.
What are the key properties of N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide?
N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-oxo-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 87944285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).