3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane

C8H13F3O2 — CID 56949555

IUPAC3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESCCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C8H13F3O2/c1-2-7(3-12-4-7)5-13-6-8(9,10)11/h2-6H2,1H3
InChIKeyGJPGDCXOXFQINC-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane

3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane (PubChem CID 56949555) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
PubChem CID56949555
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESCCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C8H13F3O2/c1-2-7(3-12-4-7)5-13-6-8(9,10)11/h2-6H2,1H3
InChIKeyGJPGDCXOXFQINC-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane (CID 56949555) is 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane is CCC1(COCC(F)(F)F)COC1.
What is the InChIKey of 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The InChIKey is GJPGDCXOXFQINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-2-7(3-12-4-7)5-13-6-8(9,10)11/h2-6H2,1H3.
What are the key properties of 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane has a molecular weight of 198.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2,2,2-trifluoroethoxymethyl)oxetane is sourced from PubChem (CID 56949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).