tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

C14H17F3N2O3 — CID 122251972

IUPACtert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17F3N2O3/c1-13(2,3)22-12(20)19-7-9(8-19)21-11-6-4-5-10(18-11)14(15,16)17/h4-6,9H,7-8H2,1-3H3
InChIKeyQBYCKXOJXFDOJP-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate

tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (PubChem CID 122251972) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
PubChem CID122251972
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Nametert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H17F3N2O3/c1-13(2,3)22-12(20)19-7-9(8-19)21-11-6-4-5-10(18-11)14(15,16)17/h4-6,9H,7-8H2,1-3H3
InChIKeyQBYCKXOJXFDOJP-UHFFFAOYSA-N
XLogP3.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate 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 tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate (CID 122251972) is tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
The InChIKey is QBYCKXOJXFDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-13(2,3)22-12(20)19-7-9(8-19)21-11-6-4-5-10(18-11)14(15,16)17/h4-6,9H,7-8H2,1-3H3.
What are the key properties of tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate?
tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxylate is sourced from PubChem (CID 122251972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).