6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

C13H13F3N2O — CID 83271058

IUPAC6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC(F)F)C(c2ccc(F)cc2)NC12CC2
InChIInChI=1S/C13H13F3N2O/c14-9-3-1-8(2-4-9)11-17-13(5-6-13)12(19)18(11)7-10(15)16/h1-4,10-11,17H,5-7H2
InChIKeyABUGPJUQLSXVGC-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.05
Rot. Bonds3

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

6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83271058) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83271058
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESO=C1N(CC(F)F)C(c2ccc(F)cc2)NC12CC2
InChIInChI=1S/C13H13F3N2O/c14-9-3-1-8(2-4-9)11-17-13(5-6-13)12(19)18(11)7-10(15)16/h1-4,10-11,17H,5-7H2
InChIKeyABUGPJUQLSXVGC-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-6-(2-methoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83243144
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245173
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
5-(3,4-difluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242438
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
5-(4-tert-butylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246689
5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267205

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83271058) is 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is O=C1N(CC(F)F)C(c2ccc(F)cc2)NC12CC2.
What is the InChIKey of 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is ABUGPJUQLSXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-9-3-1-8(2-4-9)11-17-13(5-6-13)12(19)18(11)7-10(15)16/h1-4,10-11,17H,5-7H2.
What are the key properties of 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 270.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83271058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).