1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate

C4H2F8O5S2 — CID 87660281

IUPAC1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C4H2F8O5S2/c5-1(3(7,8)9)18(13,14)17-19(15,16)2(6)4(10,11)12/h1-2H
InChIKeyVJJRQQKOLYKJFQ-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.38
Rot. Bonds4

About 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate

1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate (PubChem CID 87660281) has the molecular formula C4H2F8O5S2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
PubChem CID87660281
Molecular FormulaC4H2F8O5S2
Molecular Weight346.17 g/mol
Exact Mass345.92
IUPAC Name1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F
InChIInChI=1S/C4H2F8O5S2/c5-1(3(7,8)9)18(13,14)17-19(15,16)2(6)4(10,11)12/h1-2H
InChIKeyVJJRQQKOLYKJFQ-UHFFFAOYSA-N
XLogP1.38
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethyl]sulfonyl 1,2,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 87659826
lithium 1,2,2,2-tetrafluoroethanesulfonate
CID 174226191
1,1,2,2-tetrafluoroethylsulfonyl 1,1,2,2-tetrafluoroethanesulfonate
CID 24775313
trifluoromethyl difluoromethanesulfonate
CID 154354026
propane-1,3-diol;bis(1,2,2,2-tetrafluoroethanesulfonic acid)
CID 87127924
tert-butyl difluoromethanesulfonate
CID 175837942
1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate
CID 87128316
propane-1,2-diol;bis(1,2,2,2-tetrafluoroethanesulfonic acid)
CID 87128167
CID 146226075
CID 146226075
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride
CID 15948883

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate (CID 87660281) is 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate is O=S(=O)(OS(=O)(=O)C(F)C(F)(F)F)C(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate?
The InChIKey is VJJRQQKOLYKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O5S2/c5-1(3(7,8)9)18(13,14)17-19(15,16)2(6)4(10,11)12/h1-2H.
What are the key properties of 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate?
1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate has a molecular weight of 346.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87660281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).