N-(3-acetylphenyl)-2,2,2-trifluoroacetamide

C10H8F3NO2 — CID 673706

IUPACN-(3-acetylphenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyQJIHIZOVLAWHFM-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.39
Rot. Bonds2

About N-(3-acetylphenyl)-2,2,2-trifluoroacetamide

N-(3-acetylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 673706) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,2,2-trifluoroacetamide
PubChem CID673706
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC NameN-(3-acetylphenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyQJIHIZOVLAWHFM-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-acetylphenyl)-2,2,2-trifluoroacetamide (CID 673706) is N-(3-acetylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2,2,2-trifluoroacetamide is CC(=O)c1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is QJIHIZOVLAWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-6(15)7-3-2-4-8(5-7)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-(3-acetylphenyl)-2,2,2-trifluoroacetamide?
N-(3-acetylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 231.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 673706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).