2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C11H16F2N2O — CID 22574667

IUPAC2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC(F)(F)CCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H16F2N2O/c1-10(12,13)7-4-8-14-9(16)11(15-8)5-2-3-6-11/h2-7H2,1H3,(H,14,15,16)
InChIKeyNPJGJNNNGIHUGI-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.26
Rot. Bonds3

About 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one

2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 22574667) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID22574667
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCC(F)(F)CCC1=NC2(CCCC2)C(=O)N1
InChIInChI=1S/C11H16F2N2O/c1-10(12,13)7-4-8-14-9(16)11(15-8)5-2-3-6-11/h2-7H2,1H3,(H,14,15,16)
InChIKeyNPJGJNNNGIHUGI-UHFFFAOYSA-N
XLogP2.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 22574667) is 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one is CC(F)(F)CCC1=NC2(CCCC2)C(=O)N1.
What is the InChIKey of 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is NPJGJNNNGIHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-10(12,13)7-4-8-14-9(16)11(15-8)5-2-3-6-11/h2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 230.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 22574667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).