1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate

C7H4F6O5 — CID 134599624

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H4F6O5/c8-6(9,10)4(7(11,12)13)18-3(14)2-1-16-5(15)17-2/h2,4H,1H2
InChIKeyINZJVGOFEYGSRH-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.56
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599624) has the molecular formula C7H4F6O5 and a molecular weight of 282.09 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599624
Molecular FormulaC7H4F6O5
Molecular Weight282.09 g/mol
Exact Mass282.00
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C7H4F6O5/c8-6(9,10)4(7(11,12)13)18-3(14)2-1-16-5(15)17-2/h2,4H,1H2
InChIKeyINZJVGOFEYGSRH-UHFFFAOYSA-N
XLogP1.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599624) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OC(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is INZJVGOFEYGSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O5/c8-6(9,10)4(7(11,12)13)18-3(14)2-1-16-5(15)17-2/h2,4H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 282.09 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).