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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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
1-(4,4-Dimethylcyclohexen-1-yl)piperidine
CID 13827862
1-(3,3,5,5-Tetramethylcyclohex-1-en-1-yl)piperidine
CID 14892748
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
N-[[(1R)-2-fluorocyclohex-3-en-1-yl]methyl]-N-methyl-2-[(4S)-4-methylcyclohex-2-en-1-yl]ethanamine
CID 118312653
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-(2-Fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
CID 130238797
(9Z)-9-[(E)-2-fluoropent-2-enylidene]-3-methyl-10-methylidene-3-azaspiro[5.5]undecane
CID 130371386
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-(4-Fluorocyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 134365605

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).