2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane

C11H10F4O3 — CID 14401450

IUPAC2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane
SMILESFC(F)(Oc1ccccc1)C(F)(F)C1OCCO1
InChIInChI=1S/C11H10F4O3/c12-10(13,9-16-6-7-17-9)11(14,15)18-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyDYUWQXCAUCZISK-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.67
Rot. Bonds4

About 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane

2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane (PubChem CID 14401450) has the molecular formula C11H10F4O3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane
PubChem CID14401450
Molecular FormulaC11H10F4O3
Molecular Weight266.19 g/mol
Exact Mass266.06
IUPAC Name2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane
SMILESFC(F)(Oc1ccccc1)C(F)(F)C1OCCO1
InChIInChI=1S/C11H10F4O3/c12-10(13,9-16-6-7-17-9)11(14,15)18-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyDYUWQXCAUCZISK-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.67
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-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane (CID 14401450) is 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane is FC(F)(Oc1ccccc1)C(F)(F)C1OCCO1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane?
The InChIKey is DYUWQXCAUCZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O3/c12-10(13,9-16-6-7-17-9)11(14,15)18-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane?
2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane has a molecular weight of 266.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoro-2-phenoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 14401450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).