tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate

C11H20FNO3 — CID 134168087

IUPACtert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate
SMILESCC(F)OCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20FNO3/c1-8(12)15-7-9-5-13(6-9)10(14)16-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyUATFKMSCLSUSFO-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.19
Rot. Bonds3

About tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate

tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate (PubChem CID 134168087) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate
PubChem CID134168087
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate
SMILESCC(F)OCC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H20FNO3/c1-8(12)15-7-9-5-13(6-9)10(14)16-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyUATFKMSCLSUSFO-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.19
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-fluoroethoxymethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate (CID 134168087) is tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate is CC(F)OCC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate?
The InChIKey is UATFKMSCLSUSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-8(12)15-7-9-5-13(6-9)10(14)16-11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate?
tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-fluoroethoxymethyl)azetidine-1-carboxylate is sourced from PubChem (CID 134168087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).