2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate

C6H5F3O5 — CID 134599623

IUPAC2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCC(F)(F)F)O1
InChIInChI=1S/C6H5F3O5/c7-6(8,9)2-13-4(10)3-1-12-5(11)14-3/h3H,1-2H2
InChIKeyMRZBQMQKIXAVES-UHFFFAOYSA-N
MW214.09 g/mol
LogP0.63
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate

2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599623) has the molecular formula C6H5F3O5 and a molecular weight of 214.09 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599623
Molecular FormulaC6H5F3O5
Molecular Weight214.09 g/mol
Exact Mass214.01
IUPAC Name2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCC(F)(F)F)O1
InChIInChI=1S/C6H5F3O5/c7-6(8,9)2-13-4(10)3-1-12-5(11)14-3/h3H,1-2H2
InChIKeyMRZBQMQKIXAVES-UHFFFAOYSA-N
XLogP0.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599623) is 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OCC(F)(F)F)O1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is MRZBQMQKIXAVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O5/c7-6(8,9)2-13-4(10)3-1-12-5(11)14-3/h3H,1-2H2.
What are the key properties of 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate?
2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 214.09 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).