4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C16H23F2N3O — CID 88924142

IUPAC4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cccc(C2CN(CC(F)F)CC3(CCNCC3)O2)n1
InChIInChI=1S/C16H23F2N3O/c1-12-3-2-4-13(20-12)14-9-21(10-15(17)18)11-16(22-14)5-7-19-8-6-16/h2-4,14-15,19H,5-11H2,1H3
InChIKeyYOANPDJJVHMYHC-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.15
Rot. Bonds3

About 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 88924142) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID88924142
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cccc(C2CN(CC(F)F)CC3(CCNCC3)O2)n1
InChIInChI=1S/C16H23F2N3O/c1-12-3-2-4-13(20-12)14-9-21(10-15(17)18)11-16(22-14)5-7-19-8-6-16/h2-4,14-15,19H,5-11H2,1H3
InChIKeyYOANPDJJVHMYHC-UHFFFAOYSA-N
XLogP2.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 88924142) is 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cccc(C2CN(CC(F)F)CC3(CCNCC3)O2)n1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YOANPDJJVHMYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-12-3-2-4-13(20-12)14-9-21(10-15(17)18)11-16(22-14)5-7-19-8-6-16/h2-4,14-15,19H,5-11H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 311.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-(6-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 88924142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).