2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

C16H28F2N2O — CID 171767649

IUPAC2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1CC(F)(F)CC2(CCN(C(C)(C)C)C2=O)C1
InChIInChI=1S/C16H28F2N2O/c1-13(2,3)19-10-15(9-16(17,18)11-19)7-8-20(12(15)21)14(4,5)6/h7-11H2,1-6H3
InChIKeyUHFIFTBSJBMEQY-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.14
Rot. Bonds

About 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 171767649) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID171767649
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(C)(C)N1CC(F)(F)CC2(CCN(C(C)(C)C)C2=O)C1
InChIInChI=1S/C16H28F2N2O/c1-13(2,3)19-10-15(9-16(17,18)11-19)7-8-20(12(15)21)14(4,5)6/h7-11H2,1-6H3
InChIKeyUHFIFTBSJBMEQY-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 171767649) is 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is CC(C)(C)N1CC(F)(F)CC2(CCN(C(C)(C)C)C2=O)C1.
What is the InChIKey of 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UHFIFTBSJBMEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-13(2,3)19-10-15(9-16(17,18)11-19)7-8-20(12(15)21)14(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 302.41 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-ditert-butyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 171767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).