3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine

C7H12F3NO2 — CID 83066069

IUPAC3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine
SMILESCC1(OCCOC(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO2/c1-6(4-11-5-6)12-2-3-13-7(8,9)10/h11H,2-5H2,1H3
InChIKeyQBGDHXBICJVFFA-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.90
Rot. Bonds4

About 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine

3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine (PubChem CID 83066069) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine.

Molecular Properties

Compound Name3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine
PubChem CID83066069
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine
SMILESCC1(OCCOC(F)(F)F)CNC1
InChIInChI=1S/C7H12F3NO2/c1-6(4-11-5-6)12-2-3-13-7(8,9)10/h11H,2-5H2,1H3
InChIKeyQBGDHXBICJVFFA-UHFFFAOYSA-N
XLogP0.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine?
The IUPAC name of 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine (CID 83066069) is 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine.
What is the SMILES notation for 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine?
The canonical SMILES for 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine is CC1(OCCOC(F)(F)F)CNC1.
What is the InChIKey of 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine?
The InChIKey is QBGDHXBICJVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(4-11-5-6)12-2-3-13-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine?
3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine has a molecular weight of 199.17 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(trifluoromethoxy)ethoxy]azetidine is sourced from PubChem (CID 83066069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).