2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane

C11H20FN — CID 131155827

IUPAC2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(CCF)C2)C1
InChIInChI=1S/C11H20FN/c1-10-2-3-11(8-10)4-6-13(9-11)7-5-12/h10H,2-9H2,1H3
InChIKeyWFZNJISSHNVWAT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane

2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane (PubChem CID 131155827) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane
PubChem CID131155827
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane
SMILESCC1CCC2(CCN(CCF)C2)C1
InChIInChI=1S/C11H20FN/c1-10-2-3-11(8-10)4-6-13(9-11)7-5-12/h10H,2-9H2,1H3
InChIKeyWFZNJISSHNVWAT-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane?
The IUPAC name of 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane (CID 131155827) is 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane is CC1CCC2(CCN(CCF)C2)C1.
What is the InChIKey of 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane?
The InChIKey is WFZNJISSHNVWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10-2-3-11(8-10)4-6-13(9-11)7-5-12/h10H,2-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane?
2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane has a molecular weight of 185.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-8-methyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 131155827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).