1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene

C12H4BrF5 — CID 86206261

IUPAC1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C12H4BrF5/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
InChIKeyNVJGUPSRPTUGNP-UHFFFAOYSA-N
MW323.06 g/mol
LogP4.81
Rot. Bonds1

About 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene

1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene (PubChem CID 86206261) has the molecular formula C12H4BrF5 and a molecular weight of 323.06 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene
PubChem CID86206261
Molecular FormulaC12H4BrF5
Molecular Weight323.06 g/mol
Exact Mass321.94
IUPAC Name1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(-c2ccc(Br)cc2)c(F)c1F
InChIInChI=1S/C12H4BrF5/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H
InChIKeyNVJGUPSRPTUGNP-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.06
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene (CID 86206261) is 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(-c2ccc(Br)cc2)c(F)c1F.
What is the InChIKey of 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is NVJGUPSRPTUGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrF5/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H.
What are the key properties of 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene?
1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 323.06 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 86206261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).