2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene

C18H9BrCl2F2 — CID 123364777

IUPAC2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene
SMILESFc1cc(Br)ccc1-c1c(Cl)ccc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C18H9BrCl2F2/c19-11-3-6-14(16(22)9-11)17-15(21)8-7-13(18(17)23)10-1-4-12(20)5-2-10/h1-9H
InChIKeyDADUBWOZFUMIEU-UHFFFAOYSA-N
MW414.08 g/mol
LogP7.37
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene

2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene (PubChem CID 123364777) has the molecular formula C18H9BrCl2F2 and a molecular weight of 414.08 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene
PubChem CID123364777
Molecular FormulaC18H9BrCl2F2
Molecular Weight414.08 g/mol
Exact Mass411.92
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene
SMILESFc1cc(Br)ccc1-c1c(Cl)ccc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C18H9BrCl2F2/c19-11-3-6-14(16(22)9-11)17-15(21)8-7-13(18(17)23)10-1-4-12(20)5-2-10/h1-9H
InChIKeyDADUBWOZFUMIEU-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.08
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 2756876
CID 2756876
CID 19042620
CID 19042620
CID 154709388
CID 154709388
CID 154709389
CID 154709389
CID 134904551
CID 134904551
CID 139110938
CID 139110938
CID 154711493
CID 154711493
CID 83666993
CID 83666993
CID 102440436
CID 102440436
CID 2756880
CID 2756880
CID 19436623
CID 19436623
CID 19788782
CID 19788782

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene (CID 123364777) is 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene is Fc1cc(Br)ccc1-c1c(Cl)ccc(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene?
The InChIKey is DADUBWOZFUMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrCl2F2/c19-11-3-6-14(16(22)9-11)17-15(21)8-7-13(18(17)23)10-1-4-12(20)5-2-10/h1-9H.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene?
2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene has a molecular weight of 414.08 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-chloro-4-(4-chlorophenyl)-3-fluorobenzene is sourced from PubChem (CID 123364777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).