2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide

C8H12F3NO2 — CID 74788274

IUPAC2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide
SMILESCC(=O)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(13)4-7(2,3)12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyJBOXIIXMRJXNMC-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.42
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide

2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide (PubChem CID 74788274) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide
PubChem CID74788274
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide
SMILESCC(=O)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-5(13)4-7(2,3)12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14)
InChIKeyJBOXIIXMRJXNMC-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-Dimethyl-3-oxobutyl)acetamide
CID 11062643
N-(1,1,1-trifluoro-5-oxo-3-propan-2-ylhexan-3-yl)acetamide
CID 23192791
3,3,3-trifluoro-N-(2-methylpentan-2-yl)propanamide
CID 49365947
N-(1,1,1-trifluoro-3,4-dimethyl-2-oxopentan-3-yl)acetamide
CID 88125027
N-(1,1,1-trifluoro-2-methylpentan-2-yl)acetamide
CID 149788688
N-(3,3-difluoro-1-methylcyclobutyl)butanamide
CID 156491596
2-methyl-N-(2-methyl-4-oxopentan-2-yl)butanamide
CID 54304703
N-tert-butyl-5,5,5-trifluoro-2-oxopentanamide
CID 14278598
Acetamide, N-(4-bromo-1,1-dimethyl-3-oxobutyl)-2,2,2-trifluoro-
CID 74788514
2,2-difluoro-N-(2-methylpentan-2-yl)acetamide
CID 103516044
N-(5-bromo-2-methyl-4-oxopentan-2-yl)-2,2-difluoroacetamide
CID 103516302
2,2,3,3-tetrafluoro-N-(2-methylpentan-2-yl)propanamide
CID 103733381

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide (CID 74788274) is 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide is CC(=O)CC(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide?
The InChIKey is JBOXIIXMRJXNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(13)4-7(2,3)12-6(14)8(9,10)11/h4H2,1-3H3,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide?
2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methyl-4-oxopentan-2-yl)acetamide is sourced from PubChem (CID 74788274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).