2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate

C4H4F6O5S2 — CID 12727408

IUPAC2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)(CC(F)(F)F)OS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H4F6O5S2/c5-3(6,7)1-16(11,12)15-17(13,14)2-4(8,9)10/h1-2H2
InChIKeyKXPCNCOXUGCONJ-UHFFFAOYSA-N
MW310.19 g/mol
LogP0.79
Rot. Bonds4

About 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate

2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate (PubChem CID 12727408) has the molecular formula C4H4F6O5S2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
PubChem CID12727408
Molecular FormulaC4H4F6O5S2
Molecular Weight310.19 g/mol
Exact Mass309.94
IUPAC Name2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)(CC(F)(F)F)OS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H4F6O5S2/c5-3(6,7)1-16(11,12)15-17(13,14)2-4(8,9)10/h1-2H2
InChIKeyKXPCNCOXUGCONJ-UHFFFAOYSA-N
XLogP0.79
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zinc(II) 2,2,2-trifluoroethane-1-sulfinate
CID 121237620
3,3,4,4,4-Pentafluorobutane-1-sulfonyl chloride
CID 55279085
3,3,4,4-Tetrafluorobutane-1-sulfonyl chloride
CID 137949872
Zinc 2,2,2-trifluoroethanesulfinate
CID 117064970
1h-Tetra-fluoroethanesulfonic acid dihydrate
CID 129806119
1,2,2,3-Tetrafluoropropane-1,3-disulfonyl difluoride
CID 13223786
1,2,2,3,3,4-Hexafluorobutane-1,4-disulfonyl difluoride
CID 14203454
2,2-Difluoropropane-1,3-disulfonyl difluoride
CID 13721949
1,3-Bis(trifluoromethylsulfonyl)propane
CID 15461218
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The IUPAC name of 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate (CID 12727408) is 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate.
What is the SMILES notation for 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The canonical SMILES for 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate is O=S(=O)(CC(F)(F)F)OS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The InChIKey is KXPCNCOXUGCONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O5S2/c5-3(6,7)1-16(11,12)15-17(13,14)2-4(8,9)10/h1-2H2.
What are the key properties of 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate?
2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate has a molecular weight of 310.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate is sourced from PubChem (CID 12727408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).