2,2,2-trifluoro-N-phenacylacetamide

C10H8F3NO2 — CID 10857292

IUPAC2,2,2-trifluoro-N-phenacylacetamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)
InChIKeyACRCVJAHAOAWRZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.55
Rot. Bonds3

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

2,2,2-trifluoro-N-phenacylacetamide (PubChem CID 10857292) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenacylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenacylacetamide
PubChem CID10857292
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoro-N-phenacylacetamide
SMILESO=C(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)
InChIKeyACRCVJAHAOAWRZ-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenacylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-phenacylacetamide (CID 10857292) is 2,2,2-trifluoro-N-phenacylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-phenacylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-phenacylacetamide is O=C(CNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-phenacylacetamide?
The InChIKey is ACRCVJAHAOAWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9(16)14-6-8(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-phenacylacetamide?
2,2,2-trifluoro-N-phenacylacetamide has a molecular weight of 231.17 g/mol, XLogP of 1.55, 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-phenacylacetamide is sourced from PubChem (CID 10857292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).