tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate

C15H23F2NO2 — CID 134938626

IUPACtert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(F)(F)C21CCC1
InChIInChI=1S/C15H23F2NO2/c1-12(2,3)20-11(19)18-9-7-14(8-10-18)13(5-4-6-13)15(14,16)17/h4-10H2,1-3H3
InChIKeyCBNVGMPLRYRAAO-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.82
Rot. Bonds

About tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate

tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate (PubChem CID 134938626) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate
PubChem CID134938626
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(F)(F)C21CCC1
InChIInChI=1S/C15H23F2NO2/c1-12(2,3)20-11(19)18-9-7-14(8-10-18)13(5-4-6-13)15(14,16)17/h4-10H2,1-3H3
InChIKeyCBNVGMPLRYRAAO-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate?
The IUPAC name of tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate (CID 134938626) is tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate.
What is the SMILES notation for tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate?
The canonical SMILES for tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C(F)(F)C21CCC1.
What is the InChIKey of tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate?
The InChIKey is CBNVGMPLRYRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-12(2,3)20-11(19)18-9-7-14(8-10-18)13(5-4-6-13)15(14,16)17/h4-10H2,1-3H3.
What are the key properties of tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate?
tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate has a molecular weight of 287.35 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 11,11-difluoro-8-azadispiro[3.0.55.14]undecane-8-carboxylate is sourced from PubChem (CID 134938626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).