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

C7H7F5O5 — CID 58330328

IUPAC3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate
SMILESO=C(F)OCCCOC1(F)OC(F)(F)OC1F
InChIInChI=1S/C7H7F5O5/c8-4-6(10,17-7(11,12)16-4)15-3-1-2-14-5(9)13/h4H,1-3H2
InChIKeyWPUFDIWYMMOAOO-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.02
Rot. Bonds5

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

3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate (PubChem CID 58330328) has the molecular formula C7H7F5O5 and a molecular weight of 266.12 g/mol. Its IUPAC name is 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate.

Molecular Properties

Compound Name3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate
PubChem CID58330328
Molecular FormulaC7H7F5O5
Molecular Weight266.12 g/mol
Exact Mass266.02
IUPAC Name3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate
SMILESO=C(F)OCCCOC1(F)OC(F)(F)OC1F
InChIInChI=1S/C7H7F5O5/c8-4-6(10,17-7(11,12)16-4)15-3-1-2-14-5(9)13/h4H,1-3H2
InChIKeyWPUFDIWYMMOAOO-UHFFFAOYSA-N
XLogP2.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.02
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 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate?
The IUPAC name of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate (CID 58330328) is 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate.
What is the SMILES notation for 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate?
The canonical SMILES for 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate is O=C(F)OCCCOC1(F)OC(F)(F)OC1F.
What is the InChIKey of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate?
The InChIKey is WPUFDIWYMMOAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O5/c8-4-6(10,17-7(11,12)16-4)15-3-1-2-14-5(9)13/h4H,1-3H2.
What are the key properties of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate?
3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate has a molecular weight of 266.12 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate is sourced from PubChem (CID 58330328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).