1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene

C18H8BrCl3F2 — CID 123513311

IUPAC1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
SMILESFc1ccc(Br)cc1-c1cc(F)c(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C18H8BrCl3F2/c19-9-1-4-17(23)13(5-9)12-8-18(24)14(7-16(12)22)11-6-10(20)2-3-15(11)21/h1-8H
InChIKeyIQEHHGHGBBKZQA-UHFFFAOYSA-N
MW448.52 g/mol
LogP8.02
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene

1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene (PubChem CID 123513311) has the molecular formula C18H8BrCl3F2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
PubChem CID123513311
Molecular FormulaC18H8BrCl3F2
Molecular Weight448.52 g/mol
Exact Mass445.88
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
SMILESFc1ccc(Br)cc1-c1cc(F)c(-c2cc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C18H8BrCl3F2/c19-9-1-4-17(23)13(5-9)12-8-18(24)14(7-16(12)22)11-6-10(20)2-3-15(11)21/h1-8H
InChIKeyIQEHHGHGBBKZQA-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene (CID 123513311) is 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene is Fc1ccc(Br)cc1-c1cc(F)c(-c2cc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene?
The InChIKey is IQEHHGHGBBKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8BrCl3F2/c19-9-1-4-17(23)13(5-9)12-8-18(24)14(7-16(12)22)11-6-10(20)2-3-15(11)21/h1-8H.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene?
1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene has a molecular weight of 448.52 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene is sourced from PubChem (CID 123513311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).