bis(2,3,4,5,6-pentafluorophenyl) sulfite

C12F10O3S — CID 13341016

IUPACbis(2,3,4,5,6-pentafluorophenyl) sulfite
SMILESO=S(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O3S/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeySGNDVKSLHBEAEB-UHFFFAOYSA-N
MW414.18 g/mol
LogP4.11
Rot. Bonds4

About bis(2,3,4,5,6-pentafluorophenyl) sulfite

bis(2,3,4,5,6-pentafluorophenyl) sulfite (PubChem CID 13341016) has the molecular formula C12F10O3S and a molecular weight of 414.18 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl) sulfite.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl) sulfite
PubChem CID13341016
Molecular FormulaC12F10O3S
Molecular Weight414.18 g/mol
Exact Mass413.94
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl) sulfite
SMILESO=S(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12F10O3S/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22
InChIKeySGNDVKSLHBEAEB-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2,3,4,5,6-Pentafluorophenyl sulfamate
CID 11021701
Pentafluorophenyl Trifluoromethanesulfonate
CID 10041425
Bis(pentafluorophenyl)phosphoric acid
CID 15006193
Phenol, 2,3,4,5,6-pentafluoro-, potassium salt (1:1)
CID 23663640
Sodium pentafluorophenolate
CID 3394937
Di(penta-fluorophenyl) chlorophosphate
CID 4198951
2,3,4,5,6-Pentafluorophenolate
CID 12167465
Tris(pentafluorophenyl)borate
CID 15887311
Al(OC6F5)3
CID 16688057
Bis(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluorophenyl)borane
CID 85811035
(2,3,4,5,6-Pentafluorophenoxy)-bis(2,3,4,5,6-pentafluorophenyl)borane
CID 86043659
O-(Perfluorophenyl)hydroxylamine
CID 22968872

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) sulfite?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl) sulfite (CID 13341016) is bis(2,3,4,5,6-pentafluorophenyl) sulfite.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl) sulfite?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl) sulfite is O=S(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl) sulfite?
The InChIKey is SGNDVKSLHBEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10O3S/c13-1-3(15)7(19)11(8(20)4(1)16)24-26(23)25-12-9(21)5(17)2(14)6(18)10(12)22.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl) sulfite?
bis(2,3,4,5,6-pentafluorophenyl) sulfite has a molecular weight of 414.18 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl) sulfite is sourced from PubChem (CID 13341016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).