(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone

C13H6Cl2F2O — CID 2758085

IUPAC(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl2F2O/c14-11-2-1-7(5-12(11)15)13(18)8-3-9(16)6-10(17)4-8/h1-6H
InChIKeyYSTCJYZVDWSLNG-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.50
Rot. Bonds2

About (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone

(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone (PubChem CID 2758085) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
PubChem CID2758085
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl2F2O/c14-11-2-1-7(5-12(11)15)13(18)8-3-9(16)6-10(17)4-8/h1-6H
InChIKeyYSTCJYZVDWSLNG-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
bis(3,5-difluorophenyl)methanone
CID 2760569
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 103214281
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone (CID 2758085) is (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is YSTCJYZVDWSLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-11-2-1-7(5-12(11)15)13(18)8-3-9(16)6-10(17)4-8/h1-6H.
What are the key properties of (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone?
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 287.09 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 2758085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).