[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium

C13H20FN2+ — CID 87701006

IUPAC[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(F)=[N+](CC=C)CC=C
InChIInChI=1S/C13H20FN2/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1
InChIKeyWBSWTXMHFYJSRS-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.37
Rot. Bonds8

About [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium

[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium (PubChem CID 87701006) has the molecular formula C13H20FN2+ and a molecular weight of 223.31 g/mol. Its IUPAC name is [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium
PubChem CID87701006
Molecular FormulaC13H20FN2+
Molecular Weight223.31 g/mol
Exact Mass223.16
IUPAC Name[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(F)=[N+](CC=C)CC=C
InChIInChI=1S/C13H20FN2/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1
InChIKeyWBSWTXMHFYJSRS-UHFFFAOYSA-N
XLogP2.37
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium?
The IUPAC name of [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium (CID 87701006) is [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium.
What is the SMILES notation for [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium?
The canonical SMILES for [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium is C=CCN(CC=C)C(F)=[N+](CC=C)CC=C.
What is the InChIKey of [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium?
The InChIKey is WBSWTXMHFYJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN2/c1-5-9-15(10-6-2)13(14)16(11-7-3)12-8-4/h5-8H,1-4,9-12H2/q+1.
What are the key properties of [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium?
[[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium has a molecular weight of 223.31 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87701006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).