2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane

C13H22FN — CID 177033096

IUPAC2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane
SMILESC=CC1(F)CC12CCCN(CC(C)C)C2
InChIInChI=1S/C13H22FN/c1-4-13(14)9-12(13)6-5-7-15(10-12)8-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyNRDUXGOUVPMRFC-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.02
Rot. Bonds3

About 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane

2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane (PubChem CID 177033096) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane
PubChem CID177033096
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane
SMILESC=CC1(F)CC12CCCN(CC(C)C)C2
InChIInChI=1S/C13H22FN/c1-4-13(14)9-12(13)6-5-7-15(10-12)8-11(2)3/h4,11H,1,5-10H2,2-3H3
InChIKeyNRDUXGOUVPMRFC-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane?
The IUPAC name of 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane (CID 177033096) is 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane.
What is the SMILES notation for 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane?
The canonical SMILES for 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane is C=CC1(F)CC12CCCN(CC(C)C)C2.
What is the InChIKey of 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane?
The InChIKey is NRDUXGOUVPMRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-4-13(14)9-12(13)6-5-7-15(10-12)8-11(2)3/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane?
2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane has a molecular weight of 211.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-fluoro-5-(2-methylpropyl)-5-azaspiro[2.5]octane is sourced from PubChem (CID 177033096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).