1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene

C18H8Br2Cl2F2 — CID 154709389

IUPAC1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
SMILESFc1cc(Cl)ccc1-c1cc(Br)c(-c2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C18H8Br2Cl2F2/c19-15-8-14(12-4-2-10(22)6-18(12)24)16(20)7-13(15)11-3-1-9(21)5-17(11)23/h1-8H
InChIKeyOKHSALDKWLEICS-UHFFFAOYSA-N
MW492.97 g/mol
LogP8.13
Rot. Bonds2

About 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene

1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene (PubChem CID 154709389) has the molecular formula C18H8Br2Cl2F2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
PubChem CID154709389
Molecular FormulaC18H8Br2Cl2F2
Molecular Weight492.97 g/mol
Exact Mass489.83
IUPAC Name1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
SMILESFc1cc(Cl)ccc1-c1cc(Br)c(-c2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C18H8Br2Cl2F2/c19-15-8-14(12-4-2-10(22)6-18(12)24)16(20)7-13(15)11-3-1-9(21)5-17(11)23/h1-8H
InChIKeyOKHSALDKWLEICS-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.97
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-Bromophenyl)-4-chloro-2-fluorobenzene
CID 134938972
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1,5-Dibromo-2,4-bis(4-chloro-2-fluorophenyl)benzene
CID 154709388
2,7-Dibromo-3,6-bis(4-chloro-2-fluorophenyl)naphthalene
CID 154709390
1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
CID 154711493
1,4-dibromo-2,5-bis[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]benzene
CID 89425177
2-Bromo-4-[(4-chlorophenyl)methyl]-1-fluorobenzene
CID 18412147
2-Bromo-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-1-(trifluoromethyl)benzene
CID 21987514
2-Bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
CID 54558536
1-Bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene
CID 56974432
1,4-Dibromo-2,5-bis(2-bromo-4-fluorophenyl)benzene
CID 57552897
1,4-Dibromo-2,5-bis(2-bromophenyl)-3,6-difluorobenzene
CID 57552981

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene?
The IUPAC name of 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene (CID 154709389) is 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene.
What is the SMILES notation for 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene?
The canonical SMILES for 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene is Fc1cc(Cl)ccc1-c1cc(Br)c(-c2ccc(Cl)cc2F)cc1Br.
What is the InChIKey of 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene?
The InChIKey is OKHSALDKWLEICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2Cl2F2/c19-15-8-14(12-4-2-10(22)6-18(12)24)16(20)7-13(15)11-3-1-9(21)5-17(11)23/h1-8H.
What are the key properties of 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene?
1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene has a molecular weight of 492.97 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene is sourced from PubChem (CID 154709389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).