1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine

C12H21F3N2O — CID 167292326

IUPAC1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
SMILESCC(C)(C)N1CC(N2CC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)17-4-9(5-17)16-6-10(7-16)18-8-12(13,14)15/h9-10H,4-8H2,1-3H3
InChIKeyPIIOYDMRYAINGH-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.73
Rot. Bonds3

About 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine

1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine (PubChem CID 167292326) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
PubChem CID167292326
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
SMILESCC(C)(C)N1CC(N2CC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)17-4-9(5-17)16-6-10(7-16)18-8-12(13,14)15/h9-10H,4-8H2,1-3H3
InChIKeyPIIOYDMRYAINGH-UHFFFAOYSA-N
XLogP1.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The IUPAC name of 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine (CID 167292326) is 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine.
What is the SMILES notation for 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The canonical SMILES for 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine is CC(C)(C)N1CC(N2CC(OCC(F)(F)F)C2)C1.
What is the InChIKey of 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
The InChIKey is PIIOYDMRYAINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(2,3)17-4-9(5-17)16-6-10(7-16)18-8-12(13,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine?
1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine has a molecular weight of 266.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine is sourced from PubChem (CID 167292326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).