5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene

C12H6BrClF2 — CID 19436623

IUPAC5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2)cc(F)c1Cl
InChIInChI=1S/C12H6BrClF2/c13-9-3-1-7(2-4-9)8-5-10(15)12(14)11(16)6-8/h1-6H
InChIKeyJKXLPVBCDBKOPX-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.05
Rot. Bonds1

About 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene

5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene (PubChem CID 19436623) has the molecular formula C12H6BrClF2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene
PubChem CID19436623
Molecular FormulaC12H6BrClF2
Molecular Weight303.53 g/mol
Exact Mass301.93
IUPAC Name5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene
SMILESFc1cc(-c2ccc(Br)cc2)cc(F)c1Cl
InChIInChI=1S/C12H6BrClF2/c13-9-3-1-7(2-4-9)8-5-10(15)12(14)11(16)6-8/h1-6H
InChIKeyJKXLPVBCDBKOPX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-4'-fluoro-1,1'-biphenyl
CID 96882
4-Bromo-2,3',4',5'-tetrafluoro-1,1'-biphenyl
CID 15389836
4-Bromo-2-fluoro-1,1'-biphenyl
CID 521063
2-Bromo-4'-chloro-1,1'-biphenyl
CID 12939405
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-Bromo-3-fluoro-1,1'-biphenyl
CID 11715782
4-Chloro-2,6-difluoro-1,1'-biphenyl
CID 15278126
5-(4-Chlorophenyl)-1,2,3-trifluorobenzene
CID 70674920

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene?
The IUPAC name of 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene (CID 19436623) is 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene.
What is the SMILES notation for 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene?
The canonical SMILES for 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene is Fc1cc(-c2ccc(Br)cc2)cc(F)c1Cl.
What is the InChIKey of 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene?
The InChIKey is JKXLPVBCDBKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2/c13-9-3-1-7(2-4-9)8-5-10(15)12(14)11(16)6-8/h1-6H.
What are the key properties of 5-(4-bromophenyl)-2-chloro-1,3-difluorobenzene?
5-(4-bromophenyl)-2-chloro-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-(4-bromophenyl)-2-chloro-1,3-difluorobenzene is sourced from PubChem (CID 19436623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).