tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate

C10H15F2NO3 — CID 71082312

IUPACtert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H]1C(C)(F)F
InChIInChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-6(5-7(13)14)10(4,11)12/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyQPOJNUAOYUSRJF-ZCFIWIBFSA-N
MW235.23 g/mol
LogP2.18
Rot. Bonds1

About tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate

tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate (PubChem CID 71082312) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate
PubChem CID71082312
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Nametert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H]1C(C)(F)F
InChIInChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-6(5-7(13)14)10(4,11)12/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyQPOJNUAOYUSRJF-ZCFIWIBFSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate (CID 71082312) is tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@@H]1C(C)(F)F.
What is the InChIKey of tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate?
The InChIKey is QPOJNUAOYUSRJF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-6(5-7(13)14)10(4,11)12/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate?
tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate has a molecular weight of 235.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1,1-difluoroethyl)-4-oxoazetidine-1-carboxylate is sourced from PubChem (CID 71082312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).