[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite

C5F12O4S — CID 90835683

IUPAC[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OF
InChIInChI=1S/C5F12O4S/c6-1(2(7,8)9,3(10,11)21-16)20-4(12,13)5(14,15)22(17,18)19
InChIKeyQRRKLXJHCHQNKY-UHFFFAOYSA-N
MW384.09 g/mol
LogP3.21
Rot. Bonds6

About [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite

[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite (PubChem CID 90835683) has the molecular formula C5F12O4S and a molecular weight of 384.09 g/mol. Its IUPAC name is [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite.

Molecular Properties

Compound Name[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite
PubChem CID90835683
Molecular FormulaC5F12O4S
Molecular Weight384.09 g/mol
Exact Mass383.93
IUPAC Name[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OF
InChIInChI=1S/C5F12O4S/c6-1(2(7,8)9,3(10,11)21-16)20-4(12,13)5(14,15)22(17,18)19
InChIKeyQRRKLXJHCHQNKY-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite?
The IUPAC name of [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite (CID 90835683) is [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite.
What is the SMILES notation for [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite?
The canonical SMILES for [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OF.
What is the InChIKey of [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite?
The InChIKey is QRRKLXJHCHQNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O4S/c6-1(2(7,8)9,3(10,11)21-16)20-4(12,13)5(14,15)22(17,18)19.
What are the key properties of [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite?
[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite has a molecular weight of 384.09 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propyl] hypofluorite is sourced from PubChem (CID 90835683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).