[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium

C7H13FN+ — CID 142969581

IUPAC[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
SMILESC[NH2+]/C=C\C=C(\C)CF
InChIInChI=1S/C7H12FN/c1-7(6-8)4-3-5-9-2/h3-5,9H,6H2,1-2H3/p+1/b5-3-,7-4-
InChIKeyOJERLKLWODKHDP-XDYPTIOJSA-O
MW130.19 g/mol
LogP0.61
Rot. Bonds3

About [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium

[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium (PubChem CID 142969581) has the molecular formula C7H13FN+ and a molecular weight of 130.19 g/mol. Its IUPAC name is [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium.

Molecular Properties

Compound Name[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
PubChem CID142969581
Molecular FormulaC7H13FN+
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium
SMILESC[NH2+]/C=C\C=C(\C)CF
InChIInChI=1S/C7H12FN/c1-7(6-8)4-3-5-9-2/h3-5,9H,6H2,1-2H3/p+1/b5-3-,7-4-
InChIKeyOJERLKLWODKHDP-XDYPTIOJSA-O
XLogP0.61
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium?
The IUPAC name of [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium (CID 142969581) is [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium.
What is the SMILES notation for [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium?
The canonical SMILES for [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium is C[NH2+]/C=C\C=C(\C)CF.
What is the InChIKey of [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium?
The InChIKey is OJERLKLWODKHDP-XDYPTIOJSA-O. The full InChI is InChI=1S/C7H12FN/c1-7(6-8)4-3-5-9-2/h3-5,9H,6H2,1-2H3/p+1/b5-3-,7-4-.
What are the key properties of [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium?
[(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium has a molecular weight of 130.19 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-5-fluoro-4-methylpenta-1,3-dienyl]-methylazanium is sourced from PubChem (CID 142969581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).