tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

C12H19FN2O3 — CID 71305851

IUPACtert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)C(=O)NCC2CF
InChIInChI=1S/C12H19FN2O3/c1-11(2,3)18-10(17)15-6-12(7-15)8(4-13)5-14-9(12)16/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyFHVHKGRMTKKKCJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.94
Rot. Bonds1

About tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 71305851) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
PubChem CID71305851
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Nametert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)C(=O)NCC2CF
InChIInChI=1S/C12H19FN2O3/c1-11(2,3)18-10(17)15-6-12(7-15)8(4-13)5-14-9(12)16/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyFHVHKGRMTKKKCJ-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate (CID 71305851) is tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)C(=O)NCC2CF.
What is the InChIKey of tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is FHVHKGRMTKKKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-11(2,3)18-10(17)15-6-12(7-15)8(4-13)5-14-9(12)16/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 258.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 71305851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).