(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine

C17H24FN — CID 143968698

IUPAC(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine
SMILESC=C(C)/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C
InChIInChI=1S/C17H24FN/c1-14(2)11-12-16-10-6-8-15(18)9-7-13-19(16)17(3,4)5/h7-12H,1,6,13H2,2-5H3/b9-7-,12-11+,15-8+,16-10-
InChIKeyKPIGWZDXJLJBDI-AKKOHYGQSA-N
MW261.38 g/mol
LogP4.92
Rot. Bonds2

About (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine

(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine (PubChem CID 143968698) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine.

Molecular Properties

Compound Name(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine
PubChem CID143968698
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine
SMILESC=C(C)/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C
InChIInChI=1S/C17H24FN/c1-14(2)11-12-16-10-6-8-15(18)9-7-13-19(16)17(3,4)5/h7-12H,1,6,13H2,2-5H3/b9-7-,12-11+,15-8+,16-10-
InChIKeyKPIGWZDXJLJBDI-AKKOHYGQSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine?
The IUPAC name of (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine (CID 143968698) is (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine.
What is the SMILES notation for (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine?
The canonical SMILES for (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine is C=C(C)/C=C/C1=C/C/C=C(F)\C=C/CN1C(C)(C)C.
What is the InChIKey of (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine?
The InChIKey is KPIGWZDXJLJBDI-AKKOHYGQSA-N. The full InChI is InChI=1S/C17H24FN/c1-14(2)11-12-16-10-6-8-15(18)9-7-13-19(16)17(3,4)5/h7-12H,1,6,13H2,2-5H3/b9-7-,12-11+,15-8+,16-10-.
What are the key properties of (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine?
(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine has a molecular weight of 261.38 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine is sourced from PubChem (CID 143968698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).