10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

C12H23FN2 — CID 80696612

IUPAC10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCF
InChIInChI=1S/C12H23FN2/c1-11-4-8-14-12(5-2-3-6-12)10-15(11)9-7-13/h11,14H,2-10H2,1H3
InChIKeyJSRSYSNXXKYIMR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.95
Rot. Bonds2

About 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane

10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (PubChem CID 80696612) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
PubChem CID80696612
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCF
InChIInChI=1S/C12H23FN2/c1-11-4-8-14-12(5-2-3-6-12)10-15(11)9-7-13/h11,14H,2-10H2,1H3
InChIKeyJSRSYSNXXKYIMR-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane (CID 80696612) is 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CCF.
What is the InChIKey of 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
The InChIKey is JSRSYSNXXKYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-11-4-8-14-12(5-2-3-6-12)10-15(11)9-7-13/h11,14H,2-10H2,1H3.
What are the key properties of 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane?
10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane has a molecular weight of 214.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-fluoroethyl)-9-methyl-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 80696612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).