tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate

C11H18F3NO3 — CID 146273096

IUPACtert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate
SMILESCC(OC1CN(C(=O)OC(C)(C)C)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-7(11(12,13)14)17-8-5-15(6-8)9(16)18-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOTFAVNSBPFKYSP-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate

tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate (PubChem CID 146273096) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate
PubChem CID146273096
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Nametert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate
SMILESCC(OC1CN(C(=O)OC(C)(C)C)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-7(11(12,13)14)17-8-5-15(6-8)9(16)18-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyOTFAVNSBPFKYSP-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate (CID 146273096) is tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate is CC(OC1CN(C(=O)OC(C)(C)C)C1)C(F)(F)F.
What is the InChIKey of tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate?
The InChIKey is OTFAVNSBPFKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-7(11(12,13)14)17-8-5-15(6-8)9(16)18-10(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate?
tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,1,1-trifluoropropan-2-yloxy)azetidine-1-carboxylate is sourced from PubChem (CID 146273096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).