(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine

C13H18FN — CID 126592408

IUPAC(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
SMILESC=C/C1=N/C(C)/C=C(/F)C/C(C)=C\C1C
InChIInChI=1S/C13H18FN/c1-5-13-10(3)6-9(2)7-12(14)8-11(4)15-13/h5-6,8,10-11H,1,7H2,2-4H3/b9-6-,12-8+,15-13-
InChIKeyGHLIWSMQJROWID-YNKQAZBPSA-N
MW207.29 g/mol
LogP3.84
Rot. Bonds1

About (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine

(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine (PubChem CID 126592408) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine.

Molecular Properties

Compound Name(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
PubChem CID126592408
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
SMILESC=C/C1=N/C(C)/C=C(/F)C/C(C)=C\C1C
InChIInChI=1S/C13H18FN/c1-5-13-10(3)6-9(2)7-12(14)8-11(4)15-13/h5-6,8,10-11H,1,7H2,2-4H3/b9-6-,12-8+,15-13-
InChIKeyGHLIWSMQJROWID-YNKQAZBPSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine with MolForge

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Related Compounds

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CID 170077929
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CID 170107280
5-fluoro-2-methyl-2H-indole
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(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
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CID 144060413
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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine?
The IUPAC name of (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine (CID 126592408) is (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine.
What is the SMILES notation for (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine?
The canonical SMILES for (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine is C=C/C1=N/C(C)/C=C(/F)C/C(C)=C\C1C.
What is the InChIKey of (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine?
The InChIKey is GHLIWSMQJROWID-YNKQAZBPSA-N. The full InChI is InChI=1S/C13H18FN/c1-5-13-10(3)6-9(2)7-12(14)8-11(4)15-13/h5-6,8,10-11H,1,7H2,2-4H3/b9-6-,12-8+,15-13-.
What are the key properties of (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine?
(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine has a molecular weight of 207.29 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine is sourced from PubChem (CID 126592408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).