1-(4-acetylphenyl)-2,2,2-trifluoroethanone

C10H7F3O2 — CID 13119840

IUPAC1-(4-acetylphenyl)-2,2,2-trifluoroethanone
SMILESCC(=O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c1-6(14)7-2-4-8(5-3-7)9(15)10(11,12)13/h2-5H,1H3
InChIKeyFCHCYEDIAATYDX-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.63
Rot. Bonds2

About 1-(4-acetylphenyl)-2,2,2-trifluoroethanone

1-(4-acetylphenyl)-2,2,2-trifluoroethanone (PubChem CID 13119840) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-acetylphenyl)-2,2,2-trifluoroethanone
PubChem CID13119840
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name1-(4-acetylphenyl)-2,2,2-trifluoroethanone
SMILESCC(=O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c1-6(14)7-2-4-8(5-3-7)9(15)10(11,12)13/h2-5H,1H3
InChIKeyFCHCYEDIAATYDX-UHFFFAOYSA-N
XLogP2.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-acetylphenyl)-2,2,2-trifluoroethanone (CID 13119840) is 1-(4-acetylphenyl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-acetylphenyl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-acetylphenyl)-2,2,2-trifluoroethanone is CC(=O)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-2,2,2-trifluoroethanone?
The InChIKey is FCHCYEDIAATYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-6(14)7-2-4-8(5-3-7)9(15)10(11,12)13/h2-5H,1H3.
What are the key properties of 1-(4-acetylphenyl)-2,2,2-trifluoroethanone?
1-(4-acetylphenyl)-2,2,2-trifluoroethanone has a molecular weight of 216.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 13119840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).