7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane

C9H17FN2 — CID 176994677

IUPAC7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCC2(CCN(F)C2)C1
InChIInChI=1S/C9H17FN2/c1-2-11-5-3-9(7-11)4-6-12(10)8-9/h2-8H2,1H3
InChIKeyJYXQCJLOMNGJAY-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.29
Rot. Bonds1

About 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane

7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane (PubChem CID 176994677) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane
PubChem CID176994677
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane
SMILESCCN1CCC2(CCN(F)C2)C1
InChIInChI=1S/C9H17FN2/c1-2-11-5-3-9(7-11)4-6-12(10)8-9/h2-8H2,1H3
InChIKeyJYXQCJLOMNGJAY-UHFFFAOYSA-N
XLogP1.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane (CID 176994677) is 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane is CCN1CCC2(CCN(F)C2)C1.
What is the InChIKey of 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane?
The InChIKey is JYXQCJLOMNGJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-2-11-5-3-9(7-11)4-6-12(10)8-9/h2-8H2,1H3.
What are the key properties of 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane?
7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane has a molecular weight of 172.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-fluoro-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 176994677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).