2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate

C7H6F10O6S2 — CID 87128062

IUPAC2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O6S2/c1-3(23-25(20,21)7(16,17)5(11,12)13)2-22-24(18,19)6(14,15)4(8,9)10/h3H,2H2,1H3
InChIKeyJJFHIPCFTGMVJV-UHFFFAOYSA-N
MW440.23 g/mol
LogP2.38
Rot. Bonds7

About 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate

2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 87128062) has the molecular formula C7H6F10O6S2 and a molecular weight of 440.23 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID87128062
Molecular FormulaC7H6F10O6S2
Molecular Weight440.23 g/mol
Exact Mass439.94
IUPAC Name2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O6S2/c1-3(23-25(20,21)7(16,17)5(11,12)13)2-22-24(18,19)6(14,15)4(8,9)10/h3H,2H2,1H3
InChIKeyJJFHIPCFTGMVJV-UHFFFAOYSA-N
XLogP2.38
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.23
LogP ≤ 52.38
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'}

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Related Compounds

1,2-Ethanediyl bis(perfluorobutanesulfonate)
CID 13172602
1,1,1-Trifluoropropan-2-yl nonafluorobutane-1-sulfonate
CID 14292219
Bis(trifluoromethanesulfonic acid)propane-1,2-diyl ester
CID 13834638
Bis(trifluoromethanesulfonic acid)butane-2,3-diyl ester
CID 85394810
2-(2,2,2-Trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
CID 21102749
2-(2,2,3,3,3-Pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21102750
2-(2,2,3,3,4,4,4-Heptafluorobutylsulfonyloxy)butyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102751
2-(2,2,2-Trifluoroethylsulfonyloxy)propyl 2,2,2-trifluoroethanesulfonate
CID 21102754
2-(2,2,3,3,3-Pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
CID 21102755
2-(2,2,3,3,4,4,4-Heptafluorobutylsulfonyloxy)propyl 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 21102756
2-(2,2,3,3,4,4,5,5-Octafluoropentylsulfonyloxy)propyl 2,2,3,3,4,4,5,5-octafluoropentane-1-sulfonate
CID 21102758
2-(2,2,3,3,4,4-Hexafluorobutylsulfonyloxy)propyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate
CID 21102759

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate (CID 87128062) is 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate is CC(COS(=O)(=O)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is JJFHIPCFTGMVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O6S2/c1-3(23-25(20,21)7(16,17)5(11,12)13)2-22-24(18,19)6(14,15)4(8,9)10/h3H,2H2,1H3.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate?
2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 440.23 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)propyl 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 87128062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).