1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane

C10H17F2N — CID 126845358

IUPAC1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane
SMILESCCC1C(F)(F)C12CCCNCC2
InChIInChI=1S/C10H17F2N/c1-2-8-9(10(8,11)12)4-3-6-13-7-5-9/h8,13H,2-7H2,1H3
InChIKeyYOJSCSMAUOAFHM-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.42
Rot. Bonds1

About 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane

1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane (PubChem CID 126845358) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane
PubChem CID126845358
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane
SMILESCCC1C(F)(F)C12CCCNCC2
InChIInChI=1S/C10H17F2N/c1-2-8-9(10(8,11)12)4-3-6-13-7-5-9/h8,13H,2-7H2,1H3
InChIKeyYOJSCSMAUOAFHM-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-Difluoro-6-azaspiro[2.6]nonane
CID 72218519
1,1-Difluoro-5-azaspiro[2.6]nonane
CID 72218520
7,7-Difluoro-1-methyl-3-azabicyclo[4.1.0]heptane
CID 89263937
3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 91347812
3-(3,3,3-Trifluoropropyl)azepane
CID 104680667
7,7-Difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
CID 119031882
4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-methylbutan-2-amine
CID 121451380
3-Fluoro-3,5-dimethyl-6-propylazepane
CID 123474102
(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
CID 124709613
4-Ethyl-2-(1-fluoroethyl)-3,6,6-trimethylazepane
CID 141818565
1-(2,2-dimethylcyclopropyl)-1-fluoro-N-(2-fluoroethyl)-2,2-dimethylpropan-1-amine
CID 146647488
2-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 155356695

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane?
The IUPAC name of 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane (CID 126845358) is 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane.
What is the SMILES notation for 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane?
The canonical SMILES for 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane is CCC1C(F)(F)C12CCCNCC2.
What is the InChIKey of 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane?
The InChIKey is YOJSCSMAUOAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-8-9(10(8,11)12)4-3-6-13-7-5-9/h8,13H,2-7H2,1H3.
What are the key properties of 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane?
1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane has a molecular weight of 189.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane is sourced from PubChem (CID 126845358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).