1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene

C12Br2F8 — CID 12571898

IUPAC1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2Br)c(Br)c1F
InChIInChI=1S/C12Br2F8/c13-3-1(5(15)9(19)11(21)7(3)17)2-4(14)8(18)12(22)10(20)6(2)16
InChIKeyCZEFBGCEVOAASZ-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.99
Rot. Bonds1

About 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene

1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene (PubChem CID 12571898) has the molecular formula C12Br2F8 and a molecular weight of 455.92 g/mol. Its IUPAC name is 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene
PubChem CID12571898
Molecular FormulaC12Br2F8
Molecular Weight455.92 g/mol
Exact Mass453.82
IUPAC Name1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2Br)c(Br)c1F
InChIInChI=1S/C12Br2F8/c13-3-1(5(15)9(19)11(21)7(3)17)2-4(14)8(18)12(22)10(20)6(2)16
InChIKeyCZEFBGCEVOAASZ-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.99
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-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene?
The IUPAC name of 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene (CID 12571898) is 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene?
The canonical SMILES for 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene is Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2Br)c(Br)c1F.
What is the InChIKey of 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene?
The InChIKey is CZEFBGCEVOAASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Br2F8/c13-3-1(5(15)9(19)11(21)7(3)17)2-4(14)8(18)12(22)10(20)6(2)16.
What are the key properties of 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene?
1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene has a molecular weight of 455.92 g/mol, XLogP of 5.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromo-3,4,5,6-tetrafluorophenyl)-3,4,5,6-tetrafluorobenzene is sourced from PubChem (CID 12571898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).