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

C6H4F6O5 — CID 58330334

IUPAC2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
SMILESO=C(F)OCCOC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C6H4F6O5/c7-3(13)14-1-2-15-5(10)4(8,9)16-6(11,12)17-5/h1-2H2
InChIKeyVQWHLWBAUYDICG-UHFFFAOYSA-N
MW270.08 g/mol
LogP1.92
Rot. Bonds4

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

2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate (PubChem CID 58330334) has the molecular formula C6H4F6O5 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate.

Molecular Properties

Compound Name2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
PubChem CID58330334
Molecular FormulaC6H4F6O5
Molecular Weight270.08 g/mol
Exact Mass270.00
IUPAC Name2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
SMILESO=C(F)OCCOC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C6H4F6O5/c7-3(13)14-1-2-15-5(10)4(8,9)16-6(11,12)17-5/h1-2H2
InChIKeyVQWHLWBAUYDICG-UHFFFAOYSA-N
XLogP1.92
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The IUPAC name of 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate (CID 58330334) is 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate.
What is the SMILES notation for 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The canonical SMILES for 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate is O=C(F)OCCOC1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
The InChIKey is VQWHLWBAUYDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O5/c7-3(13)14-1-2-15-5(10)4(8,9)16-6(11,12)17-5/h1-2H2.
What are the key properties of 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate?
2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate has a molecular weight of 270.08 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,4,5,5-pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate is sourced from PubChem (CID 58330334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).