tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate

C11H21FN2O2 — CID 155742156

IUPACtert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate
SMILESCN(C)CC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-7-11(12,8-14)6-13(4)5/h6-8H2,1-5H3
InChIKeyACZVAWDVGHLLHN-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate

tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate (PubChem CID 155742156) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate
PubChem CID155742156
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate
SMILESCN(C)CC1(F)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-7-11(12,8-14)6-13(4)5/h6-8H2,1-5H3
InChIKeyACZVAWDVGHLLHN-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate (CID 155742156) is tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate is CN(C)CC1(F)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate?
The InChIKey is ACZVAWDVGHLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-7-11(12,8-14)6-13(4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(dimethylamino)methyl]-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 155742156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).