2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane

C8H12F4O2 — CID 59010322

IUPAC2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane
SMILESCCOC1(CC(F)(F)F)CCC(F)O1
InChIInChI=1S/C8H12F4O2/c1-2-13-7(5-8(10,11)12)4-3-6(9)14-7/h6H,2-5H2,1H3
InChIKeyCEKXGJKPLUAVAH-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.78
Rot. Bonds3

About 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane

2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane (PubChem CID 59010322) has the molecular formula C8H12F4O2 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane
PubChem CID59010322
Molecular FormulaC8H12F4O2
Molecular Weight216.17 g/mol
Exact Mass216.08
IUPAC Name2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane
SMILESCCOC1(CC(F)(F)F)CCC(F)O1
InChIInChI=1S/C8H12F4O2/c1-2-13-7(5-8(10,11)12)4-3-6(9)14-7/h6H,2-5H2,1H3
InChIKeyCEKXGJKPLUAVAH-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane?
The IUPAC name of 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane (CID 59010322) is 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane.
What is the SMILES notation for 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane?
The canonical SMILES for 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane is CCOC1(CC(F)(F)F)CCC(F)O1.
What is the InChIKey of 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane?
The InChIKey is CEKXGJKPLUAVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2/c1-2-13-7(5-8(10,11)12)4-3-6(9)14-7/h6H,2-5H2,1H3.
What are the key properties of 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane?
2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane has a molecular weight of 216.17 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-fluoro-2-(2,2,2-trifluoroethyl)oxolane is sourced from PubChem (CID 59010322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).