3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane

C14H22F2N2 — CID 177005565

IUPAC3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC3(C2)CC3(F)F)C1
InChIInChI=1S/C14H22F2N2/c1-17-6-4-12(9-17)3-2-11(12)18-7-5-13(10-18)8-14(13,15)16/h11H,2-10H2,1H3
InChIKeyOCVAIZNJGSRYJU-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.20
Rot. Bonds1

About 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane

3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane (PubChem CID 177005565) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane
PubChem CID177005565
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC3(C2)CC3(F)F)C1
InChIInChI=1S/C14H22F2N2/c1-17-6-4-12(9-17)3-2-11(12)18-7-5-13(10-18)8-14(13,15)16/h11H,2-10H2,1H3
InChIKeyOCVAIZNJGSRYJU-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane with MolForge

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Related Compounds

3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
CID 177005779
3-(azetidin-1-yl)-6-methyl-6-azaspiro[3.4]octane
CID 177006329
3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
CID 177006225
6-ethyl-3-(3-fluoropyrrolidin-1-yl)-6-azaspiro[3.4]octane
CID 177005819
3-(azetidin-1-ylmethyl)-6-methyl-6-azaspiro[3.4]octane;ethane
CID 177005452
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
CID 129180153
3,3-difluoro-1-methylpiperidine-4,4-diol
CID 169410012
2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
CID 177232347
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
(4S)-3-tert-butyl-6-methyl-6-azaspiro[3.5]nonane
CID 171594457
6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-6-methyl-6-azaspiro[3.4]octane
CID 177005369

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane (CID 177005565) is 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane is CN1CCC2(CCC2N2CCC3(C2)CC3(F)F)C1.
What is the InChIKey of 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane?
The InChIKey is OCVAIZNJGSRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-17-6-4-12(9-17)3-2-11(12)18-7-5-13(10-18)8-14(13,15)16/h11H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane?
3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane has a molecular weight of 256.34 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 177005565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).