3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate

C9H12F8O6S2 — CID 21102782

IUPAC3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O6S2/c10-6(11)8(14,15)4-24(18,19)22-2-1-3-23-25(20,21)5-9(16,17)7(12)13/h6-7H,1-5H2
InChIKeyFUGMOHIQKNBZAL-UHFFFAOYSA-N
MW432.31 g/mol
LogP1.87
Rot. Bonds12

About 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate

3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate (PubChem CID 21102782) has the molecular formula C9H12F8O6S2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
PubChem CID21102782
Molecular FormulaC9H12F8O6S2
Molecular Weight432.31 g/mol
Exact Mass431.99
IUPAC Name3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C9H12F8O6S2/c10-6(11)8(14,15)4-24(18,19)22-2-1-3-23-25(20,21)5-9(16,17)7(12)13/h6-7H,1-5H2
InChIKeyFUGMOHIQKNBZAL-UHFFFAOYSA-N
XLogP1.87
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate (CID 21102782) is 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
The InChIKey is FUGMOHIQKNBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O6S2/c10-6(11)8(14,15)4-24(18,19)22-2-1-3-23-25(20,21)5-9(16,17)7(12)13/h6-7H,1-5H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate?
3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate has a molecular weight of 432.31 g/mol, XLogP of 1.87, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropylsulfonyloxy)propyl 2,2,3,3-tetrafluoropropane-1-sulfonate is sourced from PubChem (CID 21102782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).