N-acetyl-2,2,2-trifluoro-N-methylacetamide

C5H6F3NO2 — CID 58658247

IUPACN-acetyl-2,2,2-trifluoro-N-methylacetamide
SMILESCC(=O)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h1-2H3
InChIKeyGYSCJWRRWGNCLI-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.55
Rot. Bonds

About N-acetyl-2,2,2-trifluoro-N-methylacetamide

N-acetyl-2,2,2-trifluoro-N-methylacetamide (PubChem CID 58658247) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is N-acetyl-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-acetyl-2,2,2-trifluoro-N-methylacetamide
PubChem CID58658247
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC NameN-acetyl-2,2,2-trifluoro-N-methylacetamide
SMILESCC(=O)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h1-2H3
InChIKeyGYSCJWRRWGNCLI-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylbis(trifluoroacetyl)imide
CID 69635
N,N-Diethyl-2,2,2-trifluoroacetamide
CID 225443
2,2-Difluoro-N,N-dimethylacetamide
CID 6432632
N,N-Diethyl-2,2-difluoroacetamide
CID 12557633
N-acetyl-N-methylcarbamoyl fluoride
CID 135060543
2-Aminopropane, N,N-bis(trifluoroacetyl)-
CID 91716929
N-acetyl-N-(2,2-difluoroethyl)acetamide
CID 176437815
N-ethyl-N-(trifluoromethyl)acetamide
CID 21690783
N,N-bis(2,2,2-trifluoroethyl)acetamide
CID 54084492
N-methyl-N-(trifluoromethyl)acetamide
CID 57124924
N-Ethyl-N-methyltrifluoroacetamide
CID 57170952
N-acetyl-2,2-difluoro-N-methylacetamide
CID 58658233

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-acetyl-2,2,2-trifluoro-N-methylacetamide (CID 58658247) is N-acetyl-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-acetyl-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-acetyl-2,2,2-trifluoro-N-methylacetamide is CC(=O)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-acetyl-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is GYSCJWRRWGNCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c1-3(10)9(2)4(11)5(6,7)8/h1-2H3.
What are the key properties of N-acetyl-2,2,2-trifluoro-N-methylacetamide?
N-acetyl-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 169.10 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 58658247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).