(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C14H6Cl2F4O — CID 114970427

IUPAC(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl2F4O/c15-10-3-1-2-8(12(10)16)13(21)7-4-5-11(17)9(6-7)14(18,19)20/h1-6H
InChIKeyLGXHTSOHFGUUNS-UHFFFAOYSA-N
MW337.10 g/mol
LogP5.38
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 114970427) has the molecular formula C14H6Cl2F4O and a molecular weight of 337.10 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID114970427
Molecular FormulaC14H6Cl2F4O
Molecular Weight337.10 g/mol
Exact Mass335.97
IUPAC Name(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl2F4O/c15-10-3-1-2-8(12(10)16)13(21)7-4-5-11(17)9(6-7)14(18,19)20/h1-6H
InChIKeyLGXHTSOHFGUUNS-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.10
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone 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

(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
(3-chloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288361
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 114970427) is (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LGXHTSOHFGUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F4O/c15-10-3-1-2-8(12(10)16)13(21)7-4-5-11(17)9(6-7)14(18,19)20/h1-6H.
What are the key properties of (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 337.10 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114970427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).