3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane

C13H25FN2 — CID 80697421

IUPAC3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CN(CCF)C2(CCCCC2)CN1
InChIInChI=1S/C13H25FN2/c1-2-12-10-16(9-8-14)13(11-15-12)6-4-3-5-7-13/h12,15H,2-11H2,1H3
InChIKeyHWJNKOREXZAPJS-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.34
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane

3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 80697421) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
PubChem CID80697421
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
SMILESCCC1CN(CCF)C2(CCCCC2)CN1
InChIInChI=1S/C13H25FN2/c1-2-12-10-16(9-8-14)13(11-15-12)6-4-3-5-7-13/h12,15H,2-11H2,1H3
InChIKeyHWJNKOREXZAPJS-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
8-ethyl-6-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097005
1-[(E)-but-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane
CID 114013930
8-ethyl-6-(2-propan-2-ylsulfonylethyl)-6,9-diazaspiro[4.5]decane
CID 106733011
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
3-ethyl-1-(oxan-4-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64843741
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane (CID 80697421) is 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane is CCC1CN(CCF)C2(CCCCC2)CN1.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is HWJNKOREXZAPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-2-12-10-16(9-8-14)13(11-15-12)6-4-3-5-7-13/h12,15H,2-11H2,1H3.
What are the key properties of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane?
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 228.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 80697421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).