1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene

C12F10Se — CID 11101719

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene
SMILESFc1c(F)c(F)c([Se]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10Se/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyHUAOFLCYFJKAIA-UHFFFAOYSA-N
MW413.07 g/mol
LogP2.73
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene (PubChem CID 11101719) has the molecular formula C12F10Se and a molecular weight of 413.07 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene
PubChem CID11101719
Molecular FormulaC12F10Se
Molecular Weight413.07 g/mol
Exact Mass413.90
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene
SMILESFc1c(F)c(F)c([Se]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10Se/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyHUAOFLCYFJKAIA-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 52.73
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene (CID 11101719) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene is Fc1c(F)c(F)c([Se]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene?
The InChIKey is HUAOFLCYFJKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10Se/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene has a molecular weight of 413.07 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)selanylbenzene is sourced from PubChem (CID 11101719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).