[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate

C7F12O5 — CID 90337456

IUPAC[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate
SMILESO=C(F)OC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C7F12O5/c8-1(20)21-3(11,12)2(9,10)4(13,14)22-6(17)5(15,16)23-7(18,19)24-6
InChIKeyHALBRIVXKAIQGY-UHFFFAOYSA-N
MW392.05 g/mol
LogP3.74
Rot. Bonds5

About [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate

[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate (PubChem CID 90337456) has the molecular formula C7F12O5 and a molecular weight of 392.05 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate.

Molecular Properties

Compound Name[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate
PubChem CID90337456
Molecular FormulaC7F12O5
Molecular Weight392.05 g/mol
Exact Mass391.96
IUPAC Name[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate
SMILESO=C(F)OC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C7F12O5/c8-1(20)21-3(11,12)2(9,10)4(13,14)22-6(17)5(15,16)23-7(18,19)24-6
InChIKeyHALBRIVXKAIQGY-UHFFFAOYSA-N
XLogP3.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate?
The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate (CID 90337456) is [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate.
What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate?
The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate is O=C(F)OC(F)(F)C(F)(F)C(F)(F)OC1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate?
The InChIKey is HALBRIVXKAIQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O5/c8-1(20)21-3(11,12)2(9,10)4(13,14)22-6(17)5(15,16)23-7(18,19)24-6.
What are the key properties of [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate?
[1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate has a molecular weight of 392.05 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2,3,3-hexafluoro-3-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]propyl] carbonofluoridate is sourced from PubChem (CID 90337456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).