3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane

C12H23FN2 — CID 164871071

IUPAC3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CCF)CC2
InChIInChI=1S/C12H23FN2/c1-14-7-2-12(3-8-14)4-9-15(10-5-12)11-6-13/h2-11H2,1H3
InChIKeyQCPWSKVLIQHQNB-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds2

About 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane

3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane (PubChem CID 164871071) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
PubChem CID164871071
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CCN(CCF)CC2
InChIInChI=1S/C12H23FN2/c1-14-7-2-12(3-8-14)4-9-15(10-5-12)11-6-13/h2-11H2,1H3
InChIKeyQCPWSKVLIQHQNB-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane (CID 164871071) is 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CCN(CCF)CC2.
What is the InChIKey of 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is QCPWSKVLIQHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-14-7-2-12(3-8-14)4-9-15(10-5-12)11-6-13/h2-11H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane?
3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 214.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-9-methyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 164871071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).