(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone

C13H6BrClF2O — CID 79743347

IUPAC(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrClF2O/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6H
InChIKeySMBKKRJGKXNZIG-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.61
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone

(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 79743347) has the molecular formula C13H6BrClF2O and a molecular weight of 331.54 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID79743347
Molecular FormulaC13H6BrClF2O
Molecular Weight331.54 g/mol
Exact Mass329.93
IUPAC Name(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrClF2O/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6H
InChIKeySMBKKRJGKXNZIG-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

(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 107944691
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 79595945
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone (CID 79743347) is (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone is O=C(c1ccc(Cl)cc1F)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is SMBKKRJGKXNZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2O/c14-7-1-4-11(16)10(5-7)13(18)9-3-2-8(15)6-12(9)17/h1-6H.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone?
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)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 (5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 79743347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).