1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate

C4F10O5S2 — CID 12694826

IUPAC1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O5S2/c5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10
InChIKeyYFQPRQIVKLIGMR-UHFFFAOYSA-N
MW382.15 g/mol
LogP1.97
Rot. Bonds4

About 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate

1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 12694826) has the molecular formula C4F10O5S2 and a molecular weight of 382.15 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID12694826
Molecular FormulaC4F10O5S2
Molecular Weight382.15 g/mol
Exact Mass381.90
IUPAC Name1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O5S2/c5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10
InChIKeyYFQPRQIVKLIGMR-UHFFFAOYSA-N
XLogP1.97
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate (CID 12694826) is 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)(OS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is YFQPRQIVKLIGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O5S2/c5-1(6,7)3(11,12)20(15,16)19-21(17,18)4(13,14)2(8,9)10.
What are the key properties of 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate?
1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 382.15 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylsulfonyl 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 12694826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).