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

C6F14O4S — CID 90977379

IUPAC[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OF
InChIInChI=1S/C6F14O4S/c7-1(8,6(17,18)25(20,21)22)4(13,14)23-2(9,3(10,11)12)5(15,16)24-19
InChIKeyIRATYRLVRQHJLX-UHFFFAOYSA-N
MW434.10 g/mol
LogP3.85
Rot. Bonds7

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

[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite (PubChem CID 90977379) has the molecular formula C6F14O4S and a molecular weight of 434.10 g/mol. Its IUPAC name is [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite.

Molecular Properties

Compound Name[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite
PubChem CID90977379
Molecular FormulaC6F14O4S
Molecular Weight434.10 g/mol
Exact Mass433.93
IUPAC Name[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OF
InChIInChI=1S/C6F14O4S/c7-1(8,6(17,18)25(20,21)22)4(13,14)23-2(9,3(10,11)12)5(15,16)24-19
InChIKeyIRATYRLVRQHJLX-UHFFFAOYSA-N
XLogP3.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.10
LogP ≤ 53.85
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-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite?
The IUPAC name of [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite (CID 90977379) is [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite.
What is the SMILES notation for [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite?
The canonical SMILES for [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite is O=S(=O)(F)C(F)(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-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite?
The InChIKey is IRATYRLVRQHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14O4S/c7-1(8,6(17,18)25(20,21)22)4(13,14)23-2(9,3(10,11)12)5(15,16)24-19.
What are the key properties of [1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite?
[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite has a molecular weight of 434.10 g/mol, XLogP of 3.85, 7 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-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropoxy)propyl] hypofluorite is sourced from PubChem (CID 90977379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).