4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

C10H12F10O6S2 — CID 21102796

IUPAC4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O6S2/c11-7(12,9(15,16)17)5-27(21,22)25-3-1-2-4-26-28(23,24)6-8(13,14)10(18,19)20/h1-6H2
InChIKeyRBURIPMQRNOXHT-UHFFFAOYSA-N
MW482.31 g/mol
LogP2.85
Rot. Bonds11

About 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (PubChem CID 21102796) has the molecular formula C10H12F10O6S2 and a molecular weight of 482.31 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
PubChem CID21102796
Molecular FormulaC10H12F10O6S2
Molecular Weight482.31 g/mol
Exact Mass481.99
IUPAC Name4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F10O6S2/c11-7(12,9(15,16)17)5-27(21,22)25-3-1-2-4-26-28(23,24)6-8(13,14)10(18,19)20/h1-6H2
InChIKeyRBURIPMQRNOXHT-UHFFFAOYSA-N
XLogP2.85
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.31
LogP ≤ 52.85
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 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (CID 21102796) is 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)(F)F)OCCCCOS(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The InChIKey is RBURIPMQRNOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O6S2/c11-7(12,9(15,16)17)5-27(21,22)25-3-1-2-4-26-28(23,24)6-8(13,14)10(18,19)20/h1-6H2.
What are the key properties of 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate has a molecular weight of 482.31 g/mol, XLogP of 2.85, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropylsulfonyloxy)butyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is sourced from PubChem (CID 21102796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).