4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate

C8H10F8O6S2 — CID 87128388

IUPAC4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)(OCCCCOS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C8H10F8O6S2/c9-5(10)7(13,14)23(17,18)21-3-1-2-4-22-24(19,20)8(15,16)6(11)12/h5-6H,1-4H2
InChIKeyMCFRSJUKHXODSM-UHFFFAOYSA-N
MW418.28 g/mol
LogP2.18
Rot. Bonds11

About 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate

4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87128388) has the molecular formula C8H10F8O6S2 and a molecular weight of 418.28 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87128388
Molecular FormulaC8H10F8O6S2
Molecular Weight418.28 g/mol
Exact Mass417.98
IUPAC Name4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)(OCCCCOS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C8H10F8O6S2/c9-5(10)7(13,14)23(17,18)21-3-1-2-4-22-24(19,20)8(15,16)6(11)12/h5-6H,1-4H2
InChIKeyMCFRSJUKHXODSM-UHFFFAOYSA-N
XLogP2.18
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 52.18
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-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate (CID 87128388) is 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate is O=S(=O)(OCCCCOS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is MCFRSJUKHXODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O6S2/c9-5(10)7(13,14)23(17,18)21-3-1-2-4-22-24(19,20)8(15,16)6(11)12/h5-6H,1-4H2.
What are the key properties of 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate?
4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 418.28 g/mol, XLogP of 2.18, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2-tetrafluoroethylsulfonyloxy)butyl 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87128388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).