3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H21FN2O2 — CID 80696756

IUPAC3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C13H21FN2O2/c1-2-10-11(17)16(9-8-14)13(12(18)15-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyFCSOUEYNIUUNSP-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.40
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 80696756) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID80696756
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(CCF)C1=O
InChIInChI=1S/C13H21FN2O2/c1-2-10-11(17)16(9-8-14)13(12(18)15-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,15,18)
InChIKeyFCSOUEYNIUUNSP-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 80696756) is 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1NC(=O)C2(CCCCC2)N(CCF)C1=O.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is FCSOUEYNIUUNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-2-10-11(17)16(9-8-14)13(12(18)15-10)6-4-3-5-7-13/h10H,2-9H2,1H3,(H,15,18).
What are the key properties of 3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 256.32 g/mol, XLogP of 1.40, 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-2,5-dione is sourced from PubChem (CID 80696756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).