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

C8H7F7O5 — CID 58330322

IUPAC3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate
SMILESO=C(OCCCOC1(F)OC(F)(F)OC1F)C(F)(F)F
InChIInChI=1S/C8H7F7O5/c9-4-7(13,20-8(14,15)19-4)18-3-1-2-17-5(16)6(10,11)12/h4H,1-3H2
InChIKeyGQBHAQVQEIFKRL-UHFFFAOYSA-N
MW316.13 g/mol
LogP2.01
Rot. Bonds5

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

3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate (PubChem CID 58330322) has the molecular formula C8H7F7O5 and a molecular weight of 316.13 g/mol. Its IUPAC name is 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate
PubChem CID58330322
Molecular FormulaC8H7F7O5
Molecular Weight316.13 g/mol
Exact Mass316.02
IUPAC Name3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate
SMILESO=C(OCCCOC1(F)OC(F)(F)OC1F)C(F)(F)F
InChIInChI=1S/C8H7F7O5/c9-4-7(13,20-8(14,15)19-4)18-3-1-2-17-5(16)6(10,11)12/h4H,1-3H2
InChIKeyGQBHAQVQEIFKRL-UHFFFAOYSA-N
XLogP2.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2,2,2-trifluoroacetate?
The IUPAC name of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate (CID 58330322) is 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate?
The canonical SMILES for 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate is O=C(OCCCOC1(F)OC(F)(F)OC1F)C(F)(F)F.
What is the InChIKey of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate?
The InChIKey is GQBHAQVQEIFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F7O5/c9-4-7(13,20-8(14,15)19-4)18-3-1-2-17-5(16)6(10,11)12/h4H,1-3H2.
What are the key properties of 3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate?
3-[(2,2,4,5-tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl 2,2,2-trifluoroacetate has a molecular weight of 316.13 g/mol, XLogP of 2.01, 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 2,2,2-trifluoroacetate is sourced from PubChem (CID 58330322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).