1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate

C10H16FNO4 — CID 71510412

IUPAC1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6H2,1-4H3
InChIKeyNBYZMANWZNNZDT-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.12
Rot. Bonds1

About 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate (PubChem CID 71510412) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate
PubChem CID71510412
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6H2,1-4H3
InChIKeyNBYZMANWZNNZDT-UHFFFAOYSA-N
XLogP1.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
CID 25260274
1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate
CID 44607627
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
1-((Tert-butoxy)carbonyl)-3-methylazetidine-3-carboxylic acid
CID 53234194
1-[(tert-Butoxy)carbonyl]-3-(fluoromethyl)azetidine-3-carboxylic acid
CID 58438919
Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate
CID 61598767
1-Tert-butyl 3-chloromethyl azetidine-1,3-dicarboxylate
CID 139023951
1-Tert-butyl 3-methyl 3-ethynylazetidine-1,3-dicarboxylate
CID 167741013
1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate
CID 53485131
1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
CID 69368885
1-Boc-3-fluoroazetidine-3-carbaldehyde
CID 72207994
3-[(Tert-butoxy)carbonyl]-3-fluoroazetidine-1-carboxylic acid
CID 89542446

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate (CID 71510412) is 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate is COC(=O)C1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate?
The InChIKey is NBYZMANWZNNZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6H2,1-4H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate has a molecular weight of 233.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate is sourced from PubChem (CID 71510412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).