1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone

C14H8ClF3O — CID 172651099

IUPAC1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)cc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H8ClF3O/c1-7(19)10-3-2-9(15)6-11(10)8-4-12(16)14(18)13(17)5-8/h2-6H,1H3
InChIKeySSMWAFPMBLMKBM-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.63
Rot. Bonds2

About 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone

1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone (PubChem CID 172651099) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
PubChem CID172651099
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)cc1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H8ClF3O/c1-7(19)10-3-2-9(15)6-11(10)8-4-12(16)14(18)13(17)5-8/h2-6H,1H3
InChIKeySSMWAFPMBLMKBM-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
2-acetyl-5-chlorobenzoic acid
CID 11229391
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-acetyl-4-chlorobenzamide
CID 157282795
1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
CID 139791589
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone (CID 172651099) is 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone is CC(=O)c1ccc(Cl)cc1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone?
The InChIKey is SSMWAFPMBLMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c1-7(19)10-3-2-9(15)6-11(10)8-4-12(16)14(18)13(17)5-8/h2-6H,1H3.
What are the key properties of 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone?
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone has a molecular weight of 284.66 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone is sourced from PubChem (CID 172651099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).