7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane

C11H20FN — CID 167041008

IUPAC7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(CCF)CC2)C1
InChIInChI=1S/C11H20FN/c1-10-8-11(9-10)2-5-13(6-3-11)7-4-12/h10H,2-9H2,1H3
InChIKeyQBEIJRRQKHSKOV-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.47
Rot. Bonds2

About 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane

7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane (PubChem CID 167041008) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane
PubChem CID167041008
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(CCF)CC2)C1
InChIInChI=1S/C11H20FN/c1-10-8-11(9-10)2-5-13(6-3-11)7-4-12/h10H,2-9H2,1H3
InChIKeyQBEIJRRQKHSKOV-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 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane (CID 167041008) is 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane is CC1CC2(CCN(CCF)CC2)C1.
What is the InChIKey of 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane?
The InChIKey is QBEIJRRQKHSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-10-8-11(9-10)2-5-13(6-3-11)7-4-12/h10H,2-9H2,1H3.
What are the key properties of 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane?
7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]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 7-(2-fluoroethyl)-2-methyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 167041008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).