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

C18H11BrClF — CID 91326561

IUPAC1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccccc2Cl)ccc1-c1cccc(Br)c1
InChIInChI=1S/C18H11BrClF/c19-14-5-3-4-12(10-14)16-9-8-13(11-18(16)21)15-6-1-2-7-17(15)20/h1-11H
InChIKeyLXPWEBPTJOIIBG-UHFFFAOYSA-N
MW361.64 g/mol
LogP6.58
Rot. Bonds2

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

1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene (PubChem CID 91326561) has the molecular formula C18H11BrClF and a molecular weight of 361.64 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene
PubChem CID91326561
Molecular FormulaC18H11BrClF
Molecular Weight361.64 g/mol
Exact Mass359.97
IUPAC Name1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene
SMILESFc1cc(-c2ccccc2Cl)ccc1-c1cccc(Br)c1
InChIInChI=1S/C18H11BrClF/c19-14-5-3-4-12(10-14)16-9-8-13(11-18(16)21)15-6-1-2-7-17(15)20/h1-11H
InChIKeyLXPWEBPTJOIIBG-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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Related Compounds

2-Bromo-2'-chloro-1,1'-biphenyl
CID 13614018
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1,4-Dibromo-2,5-bis(4-chloro-2-fluorophenyl)benzene
CID 154709389
1-Bromo-4-chloro-3,5-bis(pentafluorophenyl)-4-nitro-benzene
CID 139110938
1-chloro-4-[(1E,4E)-1,5-dibromo-5-(4-chlorophenyl)-3-(4-fluorophenyl)penta-1,4-dienyl]benzene
CID 154711493
3-Bromo-4'-chloro-biphenyl
CID 2756874
3-Bromo-2-chloro-1,1'-biphenyl
CID 14452537
2-Bromo-4-[(4-chlorophenyl)methyl]-1-fluorobenzene
CID 18412147
1,2-Dibromo-4-(2-chloro-3-fluorophenyl)benzene
CID 54452365
1-Bromo-2-(4-chlorophenyl)-3-(4-fluorophenyl)benzene
CID 56974432
1-Chloro-2-[2-[4-(4-fluorophenyl)phenyl]ethyl]benzene
CID 57309046
2-Chloro-1-fluoro-3-[4-(4-methylphenyl)phenyl]benzene
CID 57598779

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene?
The IUPAC name of 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene (CID 91326561) is 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene.
What is the SMILES notation for 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene?
The canonical SMILES for 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene is Fc1cc(-c2ccccc2Cl)ccc1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene?
The InChIKey is LXPWEBPTJOIIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF/c19-14-5-3-4-12(10-14)16-9-8-13(11-18(16)21)15-6-1-2-7-17(15)20/h1-11H.
What are the key properties of 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene?
1-(3-bromophenyl)-4-(2-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 1-(3-bromophenyl)-4-(2-chlorophenyl)-2-fluorobenzene is sourced from PubChem (CID 91326561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).