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

C14H24F2N2O — CID 175624381

IUPAC9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CN(C(C)(C)C)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H24F2N2O/c1-5-17-7-6-13(11(17)19)8-14(15,16)10-18(9-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyYJZWJJVOSARGGE-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds1

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

9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 175624381) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID175624381
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CN(C(C)(C)C)CC(F)(F)C2)C1=O
InChIInChI=1S/C14H24F2N2O/c1-5-17-7-6-13(11(17)19)8-14(15,16)10-18(9-13)12(2,3)4/h5-10H2,1-4H3
InChIKeyYJZWJJVOSARGGE-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 175624381) is 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is CCN1CCC2(CN(C(C)(C)C)CC(F)(F)C2)C1=O.
What is the InChIKey of 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YJZWJJVOSARGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-5-17-7-6-13(11(17)19)8-14(15,16)10-18(9-13)12(2,3)4/h5-10H2,1-4H3.
What are the key properties of 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 274.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-ethyl-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175624381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).