1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine

C9H16F3NO — CID 167291896

IUPAC1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC(C)(C)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)13-4-7(5-13)14-6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyOEEJSLZNGFEQGR-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds2

About 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine

1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine (PubChem CID 167291896) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine
PubChem CID167291896
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine
SMILESCC(C)(C)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(2,3)13-4-7(5-13)14-6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyOEEJSLZNGFEQGR-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine?
The IUPAC name of 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine (CID 167291896) is 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine is CC(C)(C)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine?
The InChIKey is OEEJSLZNGFEQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,3)13-4-7(5-13)14-6-9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine?
1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,2,2-trifluoroethoxy)azetidine is sourced from PubChem (CID 167291896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).