1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone

C14H9F3O — CID 62964604

IUPAC1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H9F3O/c1-8(18)9-3-2-4-10(7-9)11-5-6-12(15)14(17)13(11)16/h2-7H,1H3
InChIKeyWUEKSPYWYHKMEA-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.97
Rot. Bonds2

About 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone

1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone (PubChem CID 62964604) has the molecular formula C14H9F3O and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
PubChem CID62964604
Molecular FormulaC14H9F3O
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H9F3O/c1-8(18)9-3-2-4-10(7-9)11-5-6-12(15)14(17)13(11)16/h2-7H,1H3
InChIKeyWUEKSPYWYHKMEA-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone (CID 62964604) is 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone is CC(=O)c1cccc(-c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone?
The InChIKey is WUEKSPYWYHKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O/c1-8(18)9-3-2-4-10(7-9)11-5-6-12(15)14(17)13(11)16/h2-7H,1H3.
What are the key properties of 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone?
1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone has a molecular weight of 250.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone is sourced from PubChem (CID 62964604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).