1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate

C6H12F2O6S2 — CID 87128218

IUPAC1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate
SMILESCC(OS(=O)(=O)CCF)OS(=O)(=O)CCF
InChIInChI=1S/C6H12F2O6S2/c1-6(13-15(9,10)4-2-7)14-16(11,12)5-3-8/h6H,2-5H2,1H3
InChIKeyCDDZBLFGGJBDAM-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.04
Rot. Bonds8

About 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate

1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate (PubChem CID 87128218) has the molecular formula C6H12F2O6S2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate.

Molecular Properties

Compound Name1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate
PubChem CID87128218
Molecular FormulaC6H12F2O6S2
Molecular Weight282.29 g/mol
Exact Mass282.00
IUPAC Name1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate
SMILESCC(OS(=O)(=O)CCF)OS(=O)(=O)CCF
InChIInChI=1S/C6H12F2O6S2/c1-6(13-15(9,10)4-2-7)14-16(11,12)5-3-8/h6H,2-5H2,1H3
InChIKeyCDDZBLFGGJBDAM-UHFFFAOYSA-N
XLogP-0.04
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate?
The IUPAC name of 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate (CID 87128218) is 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate.
What is the SMILES notation for 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate?
The canonical SMILES for 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate is CC(OS(=O)(=O)CCF)OS(=O)(=O)CCF.
What is the InChIKey of 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate?
The InChIKey is CDDZBLFGGJBDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O6S2/c1-6(13-15(9,10)4-2-7)14-16(11,12)5-3-8/h6H,2-5H2,1H3.
What are the key properties of 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate?
1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate has a molecular weight of 282.29 g/mol, XLogP of -0.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylsulfonyloxy)ethyl 2-fluoroethanesulfonate is sourced from PubChem (CID 87128218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).