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

C7H6F4O5 — CID 134599639

IUPAC2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCC(F)(F)C(F)F)O1
InChIInChI=1S/C7H6F4O5/c8-5(9)7(10,11)2-15-4(12)3-1-14-6(13)16-3/h3,5H,1-2H2
InChIKeyFHEBKSWGAYJQPS-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.97
Rot. Bonds4

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

2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599639) has the molecular formula C7H6F4O5 and a molecular weight of 246.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599639
Molecular FormulaC7H6F4O5
Molecular Weight246.11 g/mol
Exact Mass246.02
IUPAC Name2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCC(F)(F)C(F)F)O1
InChIInChI=1S/C7H6F4O5/c8-5(9)7(10,11)2-15-4(12)3-1-14-6(13)16-3/h3,5H,1-2H2
InChIKeyFHEBKSWGAYJQPS-UHFFFAOYSA-N
XLogP0.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599639) is 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OCC(F)(F)C(F)F)O1.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is FHEBKSWGAYJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O5/c8-5(9)7(10,11)2-15-4(12)3-1-14-6(13)16-3/h3,5H,1-2H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate?
2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 246.11 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).