1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane

C3F8O6S2 — CID 15402258

IUPAC1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane
SMILESO=S(=O)(F)OC(OS(=O)(=O)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F8O6S2/c4-2(5,6)1(3(7,8)9,16-18(10,12)13)17-19(11,14)15
InChIKeyWSHDZQLKCOJTSY-UHFFFAOYSA-N
MW348.15 g/mol
LogP1.27
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane

1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane (PubChem CID 15402258) has the molecular formula C3F8O6S2 and a molecular weight of 348.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane
PubChem CID15402258
Molecular FormulaC3F8O6S2
Molecular Weight348.15 g/mol
Exact Mass347.90
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane
SMILESO=S(=O)(F)OC(OS(=O)(=O)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F8O6S2/c4-2(5,6)1(3(7,8)9,16-18(10,12)13)17-19(11,14)15
InChIKeyWSHDZQLKCOJTSY-UHFFFAOYSA-N
XLogP1.27
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-Bis(fluoro-sulfonyloxy)hexafluoropropane
CID 12808587
Bis(fluorosulfonyloxy)tetrafluoroethane
CID 129809855
6,6-Bis(trifluoromethyl)-1,3,5,2,4-trioxadithiane 2,2,4,4-tetraoxide
CID 156034072
1,1,1,2,3,3,3-Heptafluoropropan-2-yl sulfate
CID 151653513

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane (CID 15402258) is 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane is O=S(=O)(F)OC(OS(=O)(=O)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane?
The InChIKey is WSHDZQLKCOJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O6S2/c4-2(5,6)1(3(7,8)9,16-18(10,12)13)17-19(11,14)15.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane?
1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane has a molecular weight of 348.15 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluorosulfonyloxy)propane is sourced from PubChem (CID 15402258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).