tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

C13H20F2N2O3 — CID 121229369

IUPACtert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C13H20F2N2O3/c1-11(2,3)20-10(19)17-7-12(4-5-16-9(12)18)6-13(14,15)8-17/h4-8H2,1-3H3,(H,16,18)
InChIKeyNBGABIOSBPKNEQ-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.77
Rot. Bonds

About tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 121229369) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID121229369
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Nametert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C13H20F2N2O3/c1-11(2,3)20-10(19)17-7-12(4-5-16-9(12)18)6-13(14,15)8-17/h4-8H2,1-3H3,(H,16,18)
InChIKeyNBGABIOSBPKNEQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 121229369) is tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is NBGABIOSBPKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-11(2,3)20-10(19)17-7-12(4-5-16-9(12)18)6-13(14,15)8-17/h4-8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 290.31 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 121229369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).