1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene

C12H6BrCl2F — CID 58646948

IUPAC1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene
SMILESFc1cc(Br)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H6BrCl2F/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6H
InChIKeyHYZPJGBWEWHEGS-UHFFFAOYSA-N
MW319.99 g/mol
LogP5.56
Rot. Bonds1

About 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene

1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene (PubChem CID 58646948) has the molecular formula C12H6BrCl2F and a molecular weight of 319.99 g/mol. Its IUPAC name is 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene
PubChem CID58646948
Molecular FormulaC12H6BrCl2F
Molecular Weight319.99 g/mol
Exact Mass317.90
IUPAC Name1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene
SMILESFc1cc(Br)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H6BrCl2F/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6H
InChIKeyHYZPJGBWEWHEGS-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.99
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene?
The IUPAC name of 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene (CID 58646948) is 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene is Fc1cc(Br)cc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene?
The InChIKey is HYZPJGBWEWHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F/c13-8-4-7(5-9(16)6-8)12-10(14)2-1-3-11(12)15/h1-6H.
What are the key properties of 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene?
1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene has a molecular weight of 319.99 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,6-dichlorophenyl)-5-fluorobenzene is sourced from PubChem (CID 58646948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).