2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone

C14H8ClF3O — CID 62964096

IUPAC2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(16)14(18)13(10)17/h1-6H,7H2
InChIKeyOQSORSIKJBJDGG-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 62964096) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID62964096
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(16)14(18)13(10)17/h1-6H,7H2
InChIKeyOQSORSIKJBJDGG-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.18
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

2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
2-(2-bromophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963763
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 62964096) is 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is OQSORSIKJBJDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)7-12(19)10-5-6-11(16)14(18)13(10)17/h1-6H,7H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 284.66 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 62964096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).