4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane

C6H8F4O3 — CID 88661077

IUPAC4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
SMILESFC(F)C(F)(F)OCC1COCO1
InChIInChI=1S/C6H8F4O3/c7-5(8)6(9,10)13-2-4-1-11-3-12-4/h4-5H,1-3H2
InChIKeyDOJASLJLOGSJJT-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.23
Rot. Bonds4

About 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane

4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane (PubChem CID 88661077) has the molecular formula C6H8F4O3 and a molecular weight of 204.12 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
PubChem CID88661077
Molecular FormulaC6H8F4O3
Molecular Weight204.12 g/mol
Exact Mass204.04
IUPAC Name4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
SMILESFC(F)C(F)(F)OCC1COCO1
InChIInChI=1S/C6H8F4O3/c7-5(8)6(9,10)13-2-4-1-11-3-12-4/h4-5H,1-3H2
InChIKeyDOJASLJLOGSJJT-UHFFFAOYSA-N
XLogP1.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The IUPAC name of 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane (CID 88661077) is 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The canonical SMILES for 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane is FC(F)C(F)(F)OCC1COCO1.
What is the InChIKey of 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The InChIKey is DOJASLJLOGSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O3/c7-5(8)6(9,10)13-2-4-1-11-3-12-4/h4-5H,1-3H2.
What are the key properties of 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane has a molecular weight of 204.12 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 88661077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).