2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one

C11H19FN2O — CID 123532993

IUPAC2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CCF)C2
InChIInChI=1S/C11H19FN2O/c1-13-5-2-11(3-6-13)8-10(15)14(9-11)7-4-12/h2-9H2,1H3
InChIKeyJHSNIGIGSDKIPR-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one

2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 123532993) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID123532993
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)CC(=O)N(CCF)C2
InChIInChI=1S/C11H19FN2O/c1-13-5-2-11(3-6-13)8-10(15)14(9-11)7-4-12/h2-9H2,1H3
InChIKeyJHSNIGIGSDKIPR-UHFFFAOYSA-N
XLogP0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 123532993) is 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CCC2(CC1)CC(=O)N(CCF)C2.
What is the InChIKey of 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is JHSNIGIGSDKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-13-5-2-11(3-6-13)8-10(15)14(9-11)7-4-12/h2-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one?
2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 214.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 123532993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).