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

C7H11F3O2 — CID 15457423

IUPAC3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C7H11F3O2/c1-6(2-11-3-6)4-12-5-7(8,9)10/h2-5H2,1H3
InChIKeyKNLXBOKBOCQJTG-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.60
Rot. Bonds3

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

3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane (PubChem CID 15457423) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
PubChem CID15457423
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane
SMILESCC1(COCC(F)(F)F)COC1
InChIInChI=1S/C7H11F3O2/c1-6(2-11-3-6)4-12-5-7(8,9)10/h2-5H2,1H3
InChIKeyKNLXBOKBOCQJTG-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane (CID 15457423) is 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane is CC1(COCC(F)(F)F)COC1.
What is the InChIKey of 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
The InChIKey is KNLXBOKBOCQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-6(2-11-3-6)4-12-5-7(8,9)10/h2-5H2,1H3.
What are the key properties of 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane?
3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane has a molecular weight of 184.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trifluoroethoxymethyl)oxetane is sourced from PubChem (CID 15457423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).