[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate

C6H12BF5N2 — CID 134895745

IUPAC[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate
SMILESCN/C=C(\F)C=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C6H11FN2.BF4/c1-8-4-6(7)5-9(2)3;2-1(3,4)5/h4-5H,1-3H3;/q;-1/p+1
InChIKeyVYXMBDNFQAWCPY-UHFFFAOYSA-O
MW217.98 g/mol
LogP1.66
Rot. Bonds2

About [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate

[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate (PubChem CID 134895745) has the molecular formula C6H12BF5N2 and a molecular weight of 217.98 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate
PubChem CID134895745
Molecular FormulaC6H12BF5N2
Molecular Weight217.98 g/mol
Exact Mass218.10
IUPAC Name[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate
SMILESCN/C=C(\F)C=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C6H11FN2.BF4/c1-8-4-6(7)5-9(2)3;2-1(3,4)5/h4-5H,1-3H3;/q;-1/p+1
InChIKeyVYXMBDNFQAWCPY-UHFFFAOYSA-O
XLogP1.66
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.98
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate?
The IUPAC name of [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate (CID 134895745) is [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate.
What is the SMILES notation for [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate?
The canonical SMILES for [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate is CN/C=C(\F)C=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate?
The InChIKey is VYXMBDNFQAWCPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11FN2.BF4/c1-8-4-6(7)5-9(2)3;2-1(3,4)5/h4-5H,1-3H3;/q;-1/p+1.
What are the key properties of [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate?
[(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate has a molecular weight of 217.98 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-(methylamino)prop-2-enylidene]-dimethylazanium tetrafluoroborate is sourced from PubChem (CID 134895745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).