3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene

C18H8Br2Cl2F2 — CID 175807379

IUPAC3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene
SMILESFc1cccc(-c2cc(Cl)c(-c3cccc(F)c3Br)c(Br)c2Cl)c1
InChIInChI=1S/C18H8Br2Cl2F2/c19-16-11(5-2-6-14(16)24)15-13(21)8-12(18(22)17(15)20)9-3-1-4-10(23)7-9/h1-8H
InChIKeyZHGBXLVIRATTMY-UHFFFAOYSA-N
MW492.97 g/mol
LogP8.13
Rot. Bonds2

About 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene

3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene (PubChem CID 175807379) has the molecular formula C18H8Br2Cl2F2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene.

Molecular Properties

Compound Name3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene
PubChem CID175807379
Molecular FormulaC18H8Br2Cl2F2
Molecular Weight492.97 g/mol
Exact Mass489.83
IUPAC Name3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene
SMILESFc1cccc(-c2cc(Cl)c(-c3cccc(F)c3Br)c(Br)c2Cl)c1
InChIInChI=1S/C18H8Br2Cl2F2/c19-16-11(5-2-6-14(16)24)15-13(21)8-12(18(22)17(15)20)9-3-1-4-10(23)7-9/h1-8H
InChIKeyZHGBXLVIRATTMY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
1-(3-Bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene
CID 91326561
4-(2-Bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
CID 91502159
1-(5-Bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
CID 123513311
5-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-1,3-dichloro-2-methylbenzene
CID 134222206
1-bromo-3-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-5-chlorobenzene
CID 138701823
2-bromo-4-[(E)-3-(3-chloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]-1-methylbenzene
CID 138701859
4-Bromo-6-[2-(5-bromo-3-chloro-2-fluorophenyl)ethenyl]-1-chloronaphthalene
CID 141434447
1-(2-Bromophenyl)-3-[2-bromo-4-(trifluoromethyl)phenyl]-5-(2-chlorophenyl)benzene
CID 142438749
1-Bromo-2-(2-chlorophenyl)-3-(2-fluorophenyl)benzene
CID 173507003
1-(3-Bromophenyl)-2-chloro-4-(2-fluorophenyl)benzene
CID 173507004
2-Bromo-1-(3-chlorophenyl)-4-[2-(trifluoromethyl)phenyl]benzene
CID 173609739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene?
The IUPAC name of 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene (CID 175807379) is 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene.
What is the SMILES notation for 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene?
The canonical SMILES for 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene is Fc1cccc(-c2cc(Cl)c(-c3cccc(F)c3Br)c(Br)c2Cl)c1.
What is the InChIKey of 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene?
The InChIKey is ZHGBXLVIRATTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2Cl2F2/c19-16-11(5-2-6-14(16)24)15-13(21)8-12(18(22)17(15)20)9-3-1-4-10(23)7-9/h1-8H.
What are the key properties of 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene?
3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-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 3-bromo-2-(2-bromo-3-fluorophenyl)-1,4-dichloro-5-(3-fluorophenyl)benzene is sourced from PubChem (CID 175807379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).