4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene

C18H11BrClF — CID 91502159

IUPAC4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccccc2Br)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C18H11BrClF/c19-17-7-2-1-6-15(17)13-8-9-16(18(21)11-13)12-4-3-5-14(20)10-12/h1-11H
InChIKeyXWZRHMLPAXVIOQ-UHFFFAOYSA-N
MW361.64 g/mol
LogP6.58
Rot. Bonds2

About 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene

4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene (PubChem CID 91502159) has the molecular formula C18H11BrClF and a molecular weight of 361.64 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
PubChem CID91502159
Molecular FormulaC18H11BrClF
Molecular Weight361.64 g/mol
Exact Mass359.97
IUPAC Name4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccccc2Br)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C18H11BrClF/c19-17-7-2-1-6-15(17)13-8-9-16(18(21)11-13)12-4-3-5-14(20)10-12/h1-11H
InChIKeyXWZRHMLPAXVIOQ-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.64
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene?
The IUPAC name of 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene (CID 91502159) is 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene.
What is the SMILES notation for 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene?
The canonical SMILES for 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene is Fc1cc(-c2ccccc2Br)ccc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene?
The InChIKey is XWZRHMLPAXVIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF/c19-17-7-2-1-6-15(17)13-8-9-16(18(21)11-13)12-4-3-5-14(20)10-12/h1-11H.
What are the key properties of 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene?
4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene has a molecular weight of 361.64 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1-(3-chlorophenyl)-2-fluorobenzene is sourced from PubChem (CID 91502159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).