7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane

C9H17FN2 — CID 167217769

IUPAC7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CNC2)C(F)C1
InChIInChI=1S/C9H17FN2/c1-2-12-4-3-9(6-11-7-9)8(10)5-12/h8,11H,2-7H2,1H3
InChIKeyNEMRELHTUPJGNK-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds1

About 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane

7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane (PubChem CID 167217769) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
PubChem CID167217769
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane
SMILESCCN1CCC2(CNC2)C(F)C1
InChIInChI=1S/C9H17FN2/c1-2-12-4-3-9(6-11-7-9)8(10)5-12/h8,11H,2-7H2,1H3
InChIKeyNEMRELHTUPJGNK-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane (CID 167217769) is 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane is CCN1CCC2(CNC2)C(F)C1.
What is the InChIKey of 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
The InChIKey is NEMRELHTUPJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-2-12-4-3-9(6-11-7-9)8(10)5-12/h8,11H,2-7H2,1H3.
What are the key properties of 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane?
7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane has a molecular weight of 172.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-fluoro-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 167217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).