bis(3-chloro-4-fluorophenyl)methanone

C13H6Cl2F2O — CID 2740703

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

About bis(3-chloro-4-fluorophenyl)methanone

bis(3-chloro-4-fluorophenyl)methanone (PubChem CID 2740703) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is bis(3-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Namebis(3-chloro-4-fluorophenyl)methanone
PubChem CID2740703
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Namebis(3-chloro-4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H6Cl2F2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6H
InChIKeyPYPJUFABTKXPBV-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-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(3-chloro-4-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63093813
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 82874621
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 82875002
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-4-fluorophenyl)methanone?
The IUPAC name of bis(3-chloro-4-fluorophenyl)methanone (CID 2740703) is bis(3-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for bis(3-chloro-4-fluorophenyl)methanone?
The canonical SMILES for bis(3-chloro-4-fluorophenyl)methanone is O=C(c1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of bis(3-chloro-4-fluorophenyl)methanone?
The InChIKey is PYPJUFABTKXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6H.
What are the key properties of bis(3-chloro-4-fluorophenyl)methanone?
bis(3-chloro-4-fluorophenyl)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 bis(3-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 2740703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).