(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone

C13H6BrClF2O — CID 107996333

IUPAC(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H6BrClF2O/c14-12-5-8(15)1-2-11(12)13(18)7-3-9(16)6-10(17)4-7/h1-6H
InChIKeyLOVAOYOVQDYZGN-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.61
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone

(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone (PubChem CID 107996333) has the molecular formula C13H6BrClF2O and a molecular weight of 331.54 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
PubChem CID107996333
Molecular FormulaC13H6BrClF2O
Molecular Weight331.54 g/mol
Exact Mass329.93
IUPAC Name(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H6BrClF2O/c14-12-5-8(15)1-2-11(12)13(18)7-3-9(16)6-10(17)4-7/h1-6H
InChIKeyLOVAOYOVQDYZGN-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone (CID 107996333) is (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is LOVAOYOVQDYZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2O/c14-12-5-8(15)1-2-11(12)13(18)7-3-9(16)6-10(17)4-7/h1-6H.
What are the key properties of (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone?
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 331.54 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 107996333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).