1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene

C24H8F10S2 — CID 132560479

About 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene

1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene (PubChem CID 132560479) has the molecular formula C24H8F10S2 and a molecular weight of 550.44 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene.

Molecular Properties

• Compound Name: 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene
• PubChem CID: 132560479
• Molecular Formula: C24H8F10S2
• Molecular Weight: 550.44 g/mol
• Exact Mass: 549.99
• IUPAC Name: 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene
• SMILES: Fc1c(F)c(F)c(Sc2ccccc2-c2ccccc2Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C24H8F10S2/c25-13-15(27)19(31)23(20(32)16(13)28)35-11-7-3-1-5-9(11)10-6-2-4-8-12(10)36-24-21(33)17(29)14(26)18(30)22(24)34/h1-8H
• InChIKey: YZCIIKYFGIULQP-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.44
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene?

The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene (CID 132560479) is 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene.

What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene?

The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene is Fc1c(F)c(F)c(Sc2ccccc2-c2ccccc2Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.

What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene?

The InChIKey is YZCIIKYFGIULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F10S2/c25-13-15(27)19(31)23(20(32)16(13)28)35-11-7-3-1-5-9(11)10-6-2-4-8-12(10)36-24-21(33)17(29)14(26)18(30)22(24)34/h1-8H.

What are the key properties of 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene?

1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene has a molecular weight of 550.44 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5-pentafluoro-6-[2-[2-(2,3,4,5,6-pentafluorophenyl)sulfanylphenyl]phenyl]sulfanylbenzene is sourced from PubChem (CID 132560479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).