1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane

C3F8O3S — CID 12589498

IUPAC1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F8O3S/c4-1(5,2(6,7)8)3(9,10)14-15(11,12)13
InChIKeyQWJHUZAIZCAJBY-UHFFFAOYSA-N
MW268.08 g/mol
LogP2.01
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane

1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane (PubChem CID 12589498) has the molecular formula C3F8O3S and a molecular weight of 268.08 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane
PubChem CID12589498
Molecular FormulaC3F8O3S
Molecular Weight268.08 g/mol
Exact Mass267.94
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane
SMILESO=S(=O)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F8O3S/c4-1(5,2(6,7)8)3(9,10)14-15(11,12)13
InChIKeyQWJHUZAIZCAJBY-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane (CID 12589498) is 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane is O=S(=O)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane?
The InChIKey is QWJHUZAIZCAJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O3S/c4-1(5,2(6,7)8)3(9,10)14-15(11,12)13.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane?
1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane has a molecular weight of 268.08 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-fluorosulfonyloxypropane is sourced from PubChem (CID 12589498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).