5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene

C12H6BrClF2 — CID 102440436

IUPAC5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6BrClF2/c13-8-5-10(15)12(11(16)6-8)7-1-3-9(14)4-2-7/h1-6H
InChIKeyXJIVAIPATCQSFX-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.05
Rot. Bonds1

About 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene

5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene (PubChem CID 102440436) has the molecular formula C12H6BrClF2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene
PubChem CID102440436
Molecular FormulaC12H6BrClF2
Molecular Weight303.53 g/mol
Exact Mass301.93
IUPAC Name5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene
SMILESFc1cc(Br)cc(F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H6BrClF2/c13-8-5-10(15)12(11(16)6-8)7-1-3-9(14)4-2-7/h1-6H
InChIKeyXJIVAIPATCQSFX-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Bromo-2,3',4',5'-tetrafluoro-1,1'-biphenyl
CID 15389836
2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
4-Bromo-4'-chloro-1,1'-biphenyl
CID 2756876
4-Bromo-2,3,5,6-tetrafluoro-1,1'-biphenyl
CID 71357469
1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
4-Bromo-4'-chloro-2-fluoro-1,1'-biphenyl
CID 19042620
1,5-Dibromo-2,4-bis(4-chloro-2-fluorophenyl)benzene
CID 154709388
4-Chloro-2,6-difluoro-1,1'-biphenyl
CID 15278126
5-(4-Chlorophenyl)-1,2,3-trifluorobenzene
CID 70674920
1-(4-Chlorophenyl)-2,3,4,5,6-pentafluorobenzene
CID 72713575
1-(4-Bromophenyl)-2,3,4,5,6-pentafluorobenzene
CID 86206261

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene (CID 102440436) is 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene is Fc1cc(Br)cc(F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene?
The InChIKey is XJIVAIPATCQSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2/c13-8-5-10(15)12(11(16)6-8)7-1-3-9(14)4-2-7/h1-6H.
What are the key properties of 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene?
5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene has a molecular weight of 303.53 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chlorophenyl)-1,3-difluorobenzene is sourced from PubChem (CID 102440436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).