N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide

C10H7F4NO2 — CID 15048251

IUPACN-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C10H7F4NO2/c1-5(16)7-4-6(2-3-8(7)11)15-9(17)10(12,13)14/h2-4H,1H3,(H,15,17)
InChIKeyLUAHYGLQMMLXCB-UHFFFAOYSA-N
MW249.16 g/mol
LogP2.53
Rot. Bonds2

About N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide

N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 15048251) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide
PubChem CID15048251
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC NameN-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C10H7F4NO2/c1-5(16)7-4-6(2-3-8(7)11)15-9(17)10(12,13)14/h2-4H,1H3,(H,15,17)
InChIKeyLUAHYGLQMMLXCB-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide (CID 15048251) is N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide is CC(=O)c1cc(NC(=O)C(F)(F)F)ccc1F.
What is the InChIKey of N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is LUAHYGLQMMLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c1-5(16)7-4-6(2-3-8(7)11)15-9(17)10(12,13)14/h2-4H,1H3,(H,15,17).
What are the key properties of N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide?
N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 249.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15048251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).