3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane

C12H22F2N2 — CID 159839871

IUPAC3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CC(F)F)CC2
InChIInChI=1S/C12H22F2N2/c1-15-6-2-12(3-7-15)4-8-16(9-5-12)10-11(13)14/h11H,2-10H2,1H3
InChIKeyNONSSDGHEYXNMG-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds2

About 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane

3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane (PubChem CID 159839871) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
PubChem CID159839871
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CC(F)F)CC2
InChIInChI=1S/C12H22F2N2/c1-15-6-2-12(3-7-15)4-8-16(9-5-12)10-11(13)14/h11H,2-10H2,1H3
InChIKeyNONSSDGHEYXNMG-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethyl)-9-methyl-3,9-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

Related Compounds

1-(2,2-difluoroethyl)-4-methylpiperazine
CID 76646739
1-(2,2-difluoroethyl)-4-methyl-1,4-diazepane
CID 129297477
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
(5R)-2-(2,2-difluoroethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-8-one
CID 177212640
3-fluoro-9-methyl-3,9-diazaspiro[5.5]undecane
CID 156707007
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
1-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)propan-2-one
CID 172604347
(2R)-1-(6-azaspiro[2.5]octan-6-yl)propan-2-amine
CID 122669555
3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
9-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,9-diazaspiro[5.5]undecane
CID 176630003
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane (CID 159839871) is 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(CC(F)F)CC2.
What is the InChIKey of 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is NONSSDGHEYXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-15-6-2-12(3-7-15)4-8-16(9-5-12)10-11(13)14/h11H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 232.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 159839871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).