2,2,2-trifluoro-N-methyl-N-phenacylacetamide

C11H10F3NO2 — CID 13330051

IUPAC2,2,2-trifluoro-N-methyl-N-phenacylacetamide
SMILESCN(CC(=O)c1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-15(10(17)11(12,13)14)7-9(16)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeySRTBQRUHJVDXNV-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.89
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-phenacylacetamide

2,2,2-trifluoro-N-methyl-N-phenacylacetamide (PubChem CID 13330051) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-phenacylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-phenacylacetamide
PubChem CID13330051
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-N-methyl-N-phenacylacetamide
SMILESCN(CC(=O)c1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-15(10(17)11(12,13)14)7-9(16)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeySRTBQRUHJVDXNV-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-phenacylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-phenacylacetamide (CID 13330051) is 2,2,2-trifluoro-N-methyl-N-phenacylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-phenacylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-phenacylacetamide is CN(CC(=O)c1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-phenacylacetamide?
The InChIKey is SRTBQRUHJVDXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-15(10(17)11(12,13)14)7-9(16)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-phenacylacetamide?
2,2,2-trifluoro-N-methyl-N-phenacylacetamide has a molecular weight of 245.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-phenacylacetamide is sourced from PubChem (CID 13330051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).