2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate

C6H6F8O5S2 — CID 87659564

IUPAC2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O5S2/c7-3(8)5(11,12)1-20(15,16)19-21(17,18)2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyYJAQTVPTCUQOOJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP1.46
Rot. Bonds8

About 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate

2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate (PubChem CID 87659564) has the molecular formula C6H6F8O5S2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate
PubChem CID87659564
Molecular FormulaC6H6F8O5S2
Molecular Weight374.23 g/mol
Exact Mass373.95
IUPAC Name2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O5S2/c7-3(8)5(11,12)1-20(15,16)19-21(17,18)2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyYJAQTVPTCUQOOJ-UHFFFAOYSA-N
XLogP1.46
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 51.46
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 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The IUPAC name of 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate (CID 87659564) is 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The canonical SMILES for 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)F)OS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The InChIKey is YJAQTVPTCUQOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O5S2/c7-3(8)5(11,12)1-20(15,16)19-21(17,18)2-6(13,14)4(9)10/h3-4H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate has a molecular weight of 374.23 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropylsulfonyl 2,2,3,3-tetrafluoropropane-1-sulfonate is sourced from PubChem (CID 87659564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).