5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H18F2N2O — CID 83248621

IUPAC5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-15(2)8-12(15)20-13(19-16(5-6-16)14(20)21)10-4-3-9(17)7-11(10)18/h3-4,7,12-13,19H,5-6,8H2,1-2H3
InChIKeyAYXGOKKPMBLPPJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.73
Rot. Bonds2

About 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248621) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248621
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2O/c1-15(2)8-12(15)20-13(19-16(5-6-16)14(20)21)10-4-3-9(17)7-11(10)18/h3-4,7,12-13,19H,5-6,8H2,1-2H3
InChIKeyAYXGOKKPMBLPPJ-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,2-dimethylcyclopropyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248620
5-(4-chlorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248152
2-(2,4-difluorophenyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83269593
2-(2,4-difluorophenyl)-5-ethyl-5-methyl-3-(2-methylsulfanylethyl)imidazolidin-4-one
CID 83263534
3-(2,2-dimethylcyclopropyl)-2-(4-fluorophenyl)-5-methylimidazolidin-4-one
CID 83247124
5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267205
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
5-(3-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250897
6-(2,2-dimethylcyclopentyl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83269807
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248621) is 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1(C)CC1N1C(=O)C2(CC2)NC1c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is AYXGOKKPMBLPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-15(2)8-12(15)20-13(19-16(5-6-16)14(20)21)10-4-3-9(17)7-11(10)18/h3-4,7,12-13,19H,5-6,8H2,1-2H3.
What are the key properties of 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 292.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-6-(2,2-dimethylcyclopropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).