1-tert-butyl-3-(trifluoromethoxy)azetidine

C8H14F3NO — CID 138722537

IUPAC1-tert-butyl-3-(trifluoromethoxy)azetidine
SMILESCC(C)(C)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(2,3)12-4-6(5-12)13-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyVJBYZBUWWBWXTB-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds1

About 1-tert-butyl-3-(trifluoromethoxy)azetidine

1-tert-butyl-3-(trifluoromethoxy)azetidine (PubChem CID 138722537) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethoxy)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethoxy)azetidine
PubChem CID138722537
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-tert-butyl-3-(trifluoromethoxy)azetidine
SMILESCC(C)(C)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(2,3)12-4-6(5-12)13-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyVJBYZBUWWBWXTB-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(trifluoromethoxy)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(trifluoromethoxy)azetidine?
The IUPAC name of 1-tert-butyl-3-(trifluoromethoxy)azetidine (CID 138722537) is 1-tert-butyl-3-(trifluoromethoxy)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethoxy)azetidine?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethoxy)azetidine is CC(C)(C)N1CC(OC(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethoxy)azetidine?
The InChIKey is VJBYZBUWWBWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,3)12-4-6(5-12)13-8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethoxy)azetidine?
1-tert-butyl-3-(trifluoromethoxy)azetidine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethoxy)azetidine is sourced from PubChem (CID 138722537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).