2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate

C9H12F8O6S2 — CID 21102760

IUPAC2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESCC(COS(=O)(=O)CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O6S2/c1-5(23-25(20,21)4-9(16,17)7(12)13)2-22-24(18,19)3-8(14,15)6(10)11/h5-7H,2-4H2,1H3
InChIKeyYJVRQASCOPGDIM-UHFFFAOYSA-N
MW432.31 g/mol
LogP1.87
Rot. Bonds11

About 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate

2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate (PubChem CID 21102760) has the molecular formula C9H12F8O6S2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
PubChem CID21102760
Molecular FormulaC9H12F8O6S2
Molecular Weight432.31 g/mol
Exact Mass431.99
IUPAC Name2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESCC(COS(=O)(=O)CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O6S2/c1-5(23-25(20,21)4-9(16,17)7(12)13)2-22-24(18,19)3-8(14,15)6(10)11/h5-7H,2-4H2,1H3
InChIKeyYJVRQASCOPGDIM-UHFFFAOYSA-N
XLogP1.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate with MolForge

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Related Compounds

Bis(trifluoromethanesulfonic acid)butane-2,3-diyl ester
CID 85394810
1,1,1,3,3,3-Hexafluoropropan-2-yl butane-2-sulfonate
CID 20811119
2,3,4-Tris(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102677
2,3-Bis(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102693
2,3-Bis(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21102694
2,3-Bis(2,2,3,3,4,4,4-heptafluorobutylsulfonyloxy)butyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102695
2,3-Bis(2,2,2-trifluoroethylsulfonyloxy)propyl 2,2,2-trifluoroethanesulfonate
CID 21102707
2,3-Bis(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21102708
2,3-Bis(2,2,3,3,4,4,4-heptafluorobutylsulfonyloxy)propyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102709
3,4-Bis(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102724
3,4-Bis(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21102725
3,4-Bis(2,2,3,3,4,4,4-heptafluorobutylsulfonyloxy)butyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102726

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate (CID 21102760) is 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate is CC(COS(=O)(=O)CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The InChIKey is YJVRQASCOPGDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O6S2/c1-5(23-25(20,21)4-9(16,17)7(12)13)2-22-24(18,19)3-8(14,15)6(10)11/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate has a molecular weight of 432.31 g/mol, XLogP of 1.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate is sourced from PubChem (CID 21102760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).