tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate

C11H19FN2O3 — CID 166546969

IUPACtert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate
SMILESCN(C)C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19FN2O3/c1-10(2,3)17-9(16)14-6-11(12,7-14)8(15)13(4)5/h6-7H2,1-5H3
InChIKeyWNMQBVORVXMTMW-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.03
Rot. Bonds1

About tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate

tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate (PubChem CID 166546969) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate
PubChem CID166546969
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Nametert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate
SMILESCN(C)C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19FN2O3/c1-10(2,3)17-9(16)14-6-11(12,7-14)8(15)13(4)5/h6-7H2,1-5H3
InChIKeyWNMQBVORVXMTMW-UHFFFAOYSA-N
XLogP1.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 2-oxoazetidine-1-carboxylate
CID 23179885
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
tert-Butyl 3-carbamoylazetidine-1-carboxylate
CID 21307329
tert-Butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
CID 53487876
Tert-butyl 3-(aminomethyl)-3-carbamoylazetidine-1-carboxylate
CID 129958869
Methyl 1-boc-3-fluoroazetidine-3-carboxylate
CID 71510412
Tert-butyl 3-(fluoromethyl)azetidine-1-carboxylate
CID 76850196
Tert-butyl 3-carbonofluoridoylazetidine-1-carboxylate
CID 118155290
Tert-butyl 3-(3,3-dimethylpyrrolidine-1-carbonyl)-3-fluoroazetidine-1-carboxylate
CID 118447024
Tert-butyl 3-carbamoyl-3-fluoroazetidine-1-carboxylate
CID 126504386
Tert-butyl 3-fluoro-3-(methoxy(methyl)carbamoyl)azetidine-1-carboxylate
CID 134353054
Tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate
CID 155742156

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate (CID 166546969) is tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate is CN(C)C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate?
The InChIKey is WNMQBVORVXMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-10(2,3)17-9(16)14-6-11(12,7-14)8(15)13(4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate has a molecular weight of 246.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(dimethylcarbamoyl)-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 166546969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).