4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane

C4HF7O2 — CID 11264349

IUPAC4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4HF7O2/c5-2(6,7)1-12-3(8,9)4(10,11)13-1/h1H
InChIKeyKUGVCGSOVLLILW-UHFFFAOYSA-N
MW214.04 g/mol
LogP2.11
Rot. Bonds

About 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane

4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 11264349) has the molecular formula C4HF7O2 and a molecular weight of 214.04 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID11264349
Molecular FormulaC4HF7O2
Molecular Weight214.04 g/mol
Exact Mass213.99
IUPAC Name4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4HF7O2/c5-2(6,7)1-12-3(8,9)4(10,11)13-1/h1H
InChIKeyKUGVCGSOVLLILW-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 11264349) is 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1OC(F)(F)C(F)(F)O1.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is KUGVCGSOVLLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O2/c5-2(6,7)1-12-3(8,9)4(10,11)13-1/h1H.
What are the key properties of 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane?
4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 214.04 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 11264349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).