9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene

C11H18FN — CID 177162156

IUPAC9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene
SMILESCN1CCC2(C=CC(F)CC2)CC1
InChIInChI=1S/C11H18FN/c1-13-8-6-11(7-9-13)4-2-10(12)3-5-11/h2,4,10H,3,5-9H2,1H3
InChIKeyBYUHPNOQYNBZDB-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.39
Rot. Bonds

About 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene

9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene (PubChem CID 177162156) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene
PubChem CID177162156
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene
SMILESCN1CCC2(C=CC(F)CC2)CC1
InChIInChI=1S/C11H18FN/c1-13-8-6-11(7-9-13)4-2-10(12)3-5-11/h2,4,10H,3,5-9H2,1H3
InChIKeyBYUHPNOQYNBZDB-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.39
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 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene?
The IUPAC name of 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene (CID 177162156) is 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene is CN1CCC2(C=CC(F)CC2)CC1.
What is the InChIKey of 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene?
The InChIKey is BYUHPNOQYNBZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-13-8-6-11(7-9-13)4-2-10(12)3-5-11/h2,4,10H,3,5-9H2,1H3.
What are the key properties of 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene?
9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene has a molecular weight of 183.27 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methyl-3-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 177162156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).