1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene

C12F10Se2 — CID 11145427

IUPAC1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene
SMILESFc1c(F)c(F)c([Se][Se]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10Se2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyNKGQKYREOFQARM-UHFFFAOYSA-N
MW492.03 g/mol
LogP2.35
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene

1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene (PubChem CID 11145427) has the molecular formula C12F10Se2 and a molecular weight of 492.03 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene
PubChem CID11145427
Molecular FormulaC12F10Se2
Molecular Weight492.03 g/mol
Exact Mass493.82
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene
SMILESFc1c(F)c(F)c([Se][Se]c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10Se2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyNKGQKYREOFQARM-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.03
LogP ≤ 52.35
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)diselanyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene (CID 11145427) is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene is Fc1c(F)c(F)c([Se][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)diselanyl]benzene?
The InChIKey is NKGQKYREOFQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10Se2/c13-1-3(15)7(19)11(8(20)4(1)16)23-24-12-9(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)diselanyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)diselanyl]benzene has a molecular weight of 492.03 g/mol, XLogP of 2.35, 3 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)diselanyl]benzene is sourced from PubChem (CID 11145427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).