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

C13H6Cl2F2O — CID 43338246

IUPAC(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6H
InChIKeyBGRCEAYDMYTZJD-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.50
Rot. Bonds2

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

(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone (PubChem CID 43338246) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
PubChem CID43338246
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6H
InChIKeyBGRCEAYDMYTZJD-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

(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
5-(2,5-dichlorobenzoyl)-2-fluorobenzenesulfonyl chloride
CID 86048949
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(2-chlorofuran-3-yl)-(3,4-difluorophenyl)methanone
CID 106683705
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone (CID 43338246) is (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone?
The InChIKey is BGRCEAYDMYTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-8-2-3-10(15)9(6-8)13(18)7-1-4-11(16)12(17)5-7/h1-6H.
What are the key properties of (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone?
(2,5-dichlorophenyl)-(3,4-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 (2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 43338246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).