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

C8H12F4O3 — CID 19817164

IUPAC2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
SMILESCC1(C)OCC(COC(F)(F)C(F)F)O1
InChIInChI=1S/C8H12F4O3/c1-7(2)13-3-5(15-7)4-14-8(11,12)6(9)10/h5-6H,3-4H2,1-2H3
InChIKeyLOYDWJCFPKAJFW-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.01
Rot. Bonds4

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

2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane (PubChem CID 19817164) has the molecular formula C8H12F4O3 and a molecular weight of 232.17 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
PubChem CID19817164
Molecular FormulaC8H12F4O3
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane
SMILESCC1(C)OCC(COC(F)(F)C(F)F)O1
InChIInChI=1S/C8H12F4O3/c1-7(2)13-3-5(15-7)4-14-8(11,12)6(9)10/h5-6H,3-4H2,1-2H3
InChIKeyLOYDWJCFPKAJFW-UHFFFAOYSA-N
XLogP2.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.01
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 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane (CID 19817164) is 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane is CC1(C)OCC(COC(F)(F)C(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
The InChIKey is LOYDWJCFPKAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O3/c1-7(2)13-3-5(15-7)4-14-8(11,12)6(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane has a molecular weight of 232.17 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,1,2,2-tetrafluoroethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 19817164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).