3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

C9H10F10O6S2 — CID 21102777

IUPAC3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O6S2/c10-6(11,8(14,15)16)4-26(20,21)24-2-1-3-25-27(22,23)5-7(12,13)9(17,18)19/h1-5H2
InChIKeyLYLFBKUPJNDSMY-UHFFFAOYSA-N
MW468.29 g/mol
LogP2.46
Rot. Bonds10

About 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (PubChem CID 21102777) has the molecular formula C9H10F10O6S2 and a molecular weight of 468.29 g/mol. Its IUPAC name is 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.

Molecular Properties

Compound Name3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
PubChem CID21102777
Molecular FormulaC9H10F10O6S2
Molecular Weight468.29 g/mol
Exact Mass467.98
IUPAC Name3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)(CC(F)(F)C(F)(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O6S2/c10-6(11,8(14,15)16)4-26(20,21)24-2-1-3-25-27(22,23)5-7(12,13)9(17,18)19/h1-5H2
InChIKeyLYLFBKUPJNDSMY-UHFFFAOYSA-N
XLogP2.46
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 52.46
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-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The IUPAC name of 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (CID 21102777) is 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.
What is the SMILES notation for 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The canonical SMILES for 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is O=S(=O)(CC(F)(F)C(F)(F)F)OCCCOS(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
The InChIKey is LYLFBKUPJNDSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O6S2/c10-6(11,8(14,15)16)4-26(20,21)24-2-1-3-25-27(22,23)5-7(12,13)9(17,18)19/h1-5H2.
What are the key properties of 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?
3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate has a molecular weight of 468.29 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is sourced from PubChem (CID 21102777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).