(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone

C13H5Cl2F3O — CID 63187591

IUPAC(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl2F3O/c14-7-1-2-8(9(15)5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H
InChIKeyOIGYAOJHVCRJGQ-UHFFFAOYSA-N
MW305.08 g/mol
LogP4.64
Rot. Bonds2

About (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone

(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63187591) has the molecular formula C13H5Cl2F3O and a molecular weight of 305.08 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63187591
Molecular FormulaC13H5Cl2F3O
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl2F3O/c14-7-1-2-8(9(15)5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H
InChIKeyOIGYAOJHVCRJGQ-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 54.64
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

(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2,4-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299220
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone (CID 63187591) is (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is OIGYAOJHVCRJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3O/c14-7-1-2-8(9(15)5-7)13(19)6-3-10(16)12(18)11(17)4-6/h1-5H.
What are the key properties of (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone?
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 305.08 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63187591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).