1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate

C8H14F4O6S2 — CID 87128031

IUPAC1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(CF)CF)OS(=O)(=O)C(CF)CF
InChIInChI=1S/C8H14F4O6S2/c1-6(17-19(13,14)7(2-9)3-10)18-20(15,16)8(4-11)5-12/h6-8H,2-5H2,1H3
InChIKeyKZERUYSEGWXJNX-UHFFFAOYSA-N
MW346.32 g/mol
LogP0.64
Rot. Bonds10

About 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate

1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate (PubChem CID 87128031) has the molecular formula C8H14F4O6S2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate.

Molecular Properties

Compound Name1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate
PubChem CID87128031
Molecular FormulaC8H14F4O6S2
Molecular Weight346.32 g/mol
Exact Mass346.02
IUPAC Name1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(CF)CF)OS(=O)(=O)C(CF)CF
InChIInChI=1S/C8H14F4O6S2/c1-6(17-19(13,14)7(2-9)3-10)18-20(15,16)8(4-11)5-12/h6-8H,2-5H2,1H3
InChIKeyKZERUYSEGWXJNX-UHFFFAOYSA-N
XLogP0.64
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 50.64
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-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate?
The IUPAC name of 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate (CID 87128031) is 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate.
What is the SMILES notation for 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate?
The canonical SMILES for 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate is CC(OS(=O)(=O)C(CF)CF)OS(=O)(=O)C(CF)CF.
What is the InChIKey of 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate?
The InChIKey is KZERUYSEGWXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O6S2/c1-6(17-19(13,14)7(2-9)3-10)18-20(15,16)8(4-11)5-12/h6-8H,2-5H2,1H3.
What are the key properties of 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate?
1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate has a molecular weight of 346.32 g/mol, XLogP of 0.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-difluoropropan-2-ylsulfonyloxy)ethyl 1,3-difluoropropane-2-sulfonate is sourced from PubChem (CID 87128031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).