3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine

C8H14F3NO2 — CID 83066940

IUPAC3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
SMILESCC1(OCCOCC(F)(F)F)CNC1
InChIInChI=1S/C8H14F3NO2/c1-7(4-12-5-7)14-3-2-13-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyUYWUKAQKCGCFAM-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.94
Rot. Bonds5

About 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine

3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine (PubChem CID 83066940) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine.

Molecular Properties

Compound Name3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
PubChem CID83066940
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine
SMILESCC1(OCCOCC(F)(F)F)CNC1
InChIInChI=1S/C8H14F3NO2/c1-7(4-12-5-7)14-3-2-13-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyUYWUKAQKCGCFAM-UHFFFAOYSA-N
XLogP0.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.94
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-(2,2,2-trifluoroethoxy)ethoxy]azetidine?
The IUPAC name of 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine (CID 83066940) is 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine.
What is the SMILES notation for 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine?
The canonical SMILES for 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine is CC1(OCCOCC(F)(F)F)CNC1.
What is the InChIKey of 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine?
The InChIKey is UYWUKAQKCGCFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-7(4-12-5-7)14-3-2-13-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine?
3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine has a molecular weight of 213.20 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]azetidine is sourced from PubChem (CID 83066940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).