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

C12F10O4S2 — CID 18724466

IUPAC1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene
SMILESO=S(Oc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O4S2/c13-1-3(15)7(19)11(8(20)4(1)16)26-27(23)28(24,25)12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyAVEDPWDTVLOKRY-UHFFFAOYSA-N
MW462.24 g/mol
LogP3.51
Rot. Bonds4

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

1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene (PubChem CID 18724466) has the molecular formula C12F10O4S2 and a molecular weight of 462.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene
PubChem CID18724466
Molecular FormulaC12F10O4S2
Molecular Weight462.24 g/mol
Exact Mass461.91
IUPAC Name1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene
SMILESO=S(Oc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O4S2/c13-1-3(15)7(19)11(8(20)4(1)16)26-27(23)28(24,25)12-9(21)5(17)2(14)6(18)10(12)22
InChIKeyAVEDPWDTVLOKRY-UHFFFAOYSA-N
XLogP3.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene (CID 18724466) is 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene is O=S(Oc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene?
The InChIKey is AVEDPWDTVLOKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10O4S2/c13-1-3(15)7(19)11(8(20)4(1)16)26-27(23)28(24,25)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)sulfonylsulfinyloxybenzene?
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylsulfinyloxybenzene has a molecular weight of 462.24 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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)sulfonylsulfinyloxybenzene is sourced from PubChem (CID 18724466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).