2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane

C8H12F4O2 — CID 71158920

IUPAC2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane
SMILESCCOC1(CF)CC(C(F)(F)F)CO1
InChIInChI=1S/C8H12F4O2/c1-2-13-7(5-9)3-6(4-14-7)8(10,11)12/h6H,2-5H2,1H3
InChIKeyRQDCFLDXKWCOKF-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.29
Rot. Bonds3

About 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane

2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane (PubChem CID 71158920) has the molecular formula C8H12F4O2 and a molecular weight of 216.17 g/mol. Its IUPAC name is 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane
PubChem CID71158920
Molecular FormulaC8H12F4O2
Molecular Weight216.17 g/mol
Exact Mass216.08
IUPAC Name2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane
SMILESCCOC1(CF)CC(C(F)(F)F)CO1
InChIInChI=1S/C8H12F4O2/c1-2-13-7(5-9)3-6(4-14-7)8(10,11)12/h6H,2-5H2,1H3
InChIKeyRQDCFLDXKWCOKF-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane?
The IUPAC name of 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane (CID 71158920) is 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane?
The canonical SMILES for 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane is CCOC1(CF)CC(C(F)(F)F)CO1.
What is the InChIKey of 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane?
The InChIKey is RQDCFLDXKWCOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2/c1-2-13-7(5-9)3-6(4-14-7)8(10,11)12/h6H,2-5H2,1H3.
What are the key properties of 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane?
2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane has a molecular weight of 216.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(fluoromethyl)-4-(trifluoromethyl)oxolane is sourced from PubChem (CID 71158920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).