2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane

C11H20F2N2O — CID 165487544

IUPAC2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CC1)NCCC(C(F)F)O2
InChIInChI=1S/C11H20F2N2O/c1-2-15-7-4-11(5-8-15)14-6-3-9(16-11)10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyVUYUBRWEQRLORE-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.44
Rot. Bonds2

About 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane

2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane (PubChem CID 165487544) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane
PubChem CID165487544
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CC1)NCCC(C(F)F)O2
InChIInChI=1S/C11H20F2N2O/c1-2-15-7-4-11(5-8-15)14-6-3-9(16-11)10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyVUYUBRWEQRLORE-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-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 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane (CID 165487544) is 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane is CCN1CCC2(CC1)NCCC(C(F)F)O2.
What is the InChIKey of 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane?
The InChIKey is VUYUBRWEQRLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-2-15-7-4-11(5-8-15)14-6-3-9(16-11)10(12)13/h9-10,14H,2-8H2,1H3.
What are the key properties of 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane?
2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane has a molecular weight of 234.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-9-ethyl-1-oxa-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 165487544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).