tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate

C15H20FNO3 — CID 162385912

IUPACtert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(Oc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(4,10-17)19-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3
InChIKeyATFMPHJUVDPNDZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate

tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate (PubChem CID 162385912) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate
PubChem CID162385912
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(Oc2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(4,10-17)19-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3
InChIKeyATFMPHJUVDPNDZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate (CID 162385912) is tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C)(Oc2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate?
The InChIKey is ATFMPHJUVDPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(4,10-17)19-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate?
tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-fluorophenoxy)-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 162385912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).