(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium

C11H17FN+ — CID 123643638

IUPAC(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium
SMILESC#[N+]C(=CC(F)=CC)C(C)C(C)C
InChIInChI=1S/C11H17FN/c1-6-10(12)7-11(13-5)9(4)8(2)3/h5-9H,1-4H3/q+1
InChIKeyQCEXHXGBFHJWJN-UHFFFAOYSA-N
MW182.26 g/mol
LogP4.00
Rot. Bonds3

About (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium

(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium (PubChem CID 123643638) has the molecular formula C11H17FN+ and a molecular weight of 182.26 g/mol. Its IUPAC name is (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium.

Molecular Properties

Compound Name(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium
PubChem CID123643638
Molecular FormulaC11H17FN+
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium
SMILESC#[N+]C(=CC(F)=CC)C(C)C(C)C
InChIInChI=1S/C11H17FN/c1-6-10(12)7-11(13-5)9(4)8(2)3/h5-9H,1-4H3/q+1
InChIKeyQCEXHXGBFHJWJN-UHFFFAOYSA-N
XLogP4.00
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[(3Z)-2-fluoro-6-methylhepta-1,3-dien-4-yl]methanimine
CID 143321312

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium?
The IUPAC name of (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium (CID 123643638) is (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium.
What is the SMILES notation for (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium?
The canonical SMILES for (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium is C#[N+]C(=CC(F)=CC)C(C)C(C)C.
What is the InChIKey of (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium?
The InChIKey is QCEXHXGBFHJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN/c1-6-10(12)7-11(13-5)9(4)8(2)3/h5-9H,1-4H3/q+1.
What are the key properties of (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium?
(6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium has a molecular weight of 182.26 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2,3-dimethylocta-4,6-dien-4-yl)-methylidyneazanium is sourced from PubChem (CID 123643638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).