tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate

C12H19F2NO2 — CID 67092985

IUPACtert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC2)C(F)(F)C1
InChIInChI=1S/C12H19F2NO2/c1-10(2,3)17-9(16)15-7-6-11(4-5-11)12(13,14)8-15/h4-8H2,1-3H3
InChIKeyIWTFEXJMRWLOGA-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.04
Rot. Bonds

About tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 67092985) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID67092985
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Nametert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC2)C(F)(F)C1
InChIInChI=1S/C12H19F2NO2/c1-10(2,3)17-9(16)15-7-6-11(4-5-11)12(13,14)8-15/h4-8H2,1-3H3
InChIKeyIWTFEXJMRWLOGA-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate (CID 67092985) is tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC2)C(F)(F)C1.
What is the InChIKey of tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is IWTFEXJMRWLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-10(2,3)17-9(16)15-7-6-11(4-5-11)12(13,14)8-15/h4-8H2,1-3H3.
What are the key properties of tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 247.28 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8,8-difluoro-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 67092985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).