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

C15H11F3O — CID 82540903

IUPAC1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H11F3O/c1-9(19)8-10-2-4-11(5-3-10)12-6-7-13(16)15(18)14(12)17/h2-7H,8H2,1H3
InChIKeyUUUIMEAHILWILK-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.90
Rot. Bonds3

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

1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one (PubChem CID 82540903) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one
PubChem CID82540903
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H11F3O/c1-9(19)8-10-2-4-11(5-3-10)12-6-7-13(16)15(18)14(12)17/h2-7H,8H2,1H3
InChIKeyUUUIMEAHILWILK-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.90
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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Related Compounds

1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
1-[4-(2,3-dimethylphenyl)phenyl]propan-2-one
CID 114081436
4-(2,3,4-trifluorophenyl)aniline
CID 62965800
1-[3-(2,3,4-trifluorophenyl)phenyl]ethanone
CID 62964604
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
2-methyl-5-(2,3,4-trifluorophenyl)benzoic acid
CID 65309587
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one (CID 82540903) is 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one?
The InChIKey is UUUIMEAHILWILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c1-9(19)8-10-2-4-11(5-3-10)12-6-7-13(16)15(18)14(12)17/h2-7H,8H2,1H3.
What are the key properties of 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one?
1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one has a molecular weight of 264.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one is sourced from PubChem (CID 82540903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).