6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate

C8H11BF5N3 — CID 88601942

IUPAC6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC=CCNc1ccc(F)n[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C8H10FN3.BF4/c1-3-6-10-8-5-4-7(9)11-12(8)2;2-1(3,4)5/h3-5H,1,6H2,2H3;/q;-1/p+1
InChIKeyIKIAPMBIVRPNCA-UHFFFAOYSA-O
MW255.00 g/mol
LogP1.94
Rot. Bonds3

About 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate

6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate (PubChem CID 88601942) has the molecular formula C8H11BF5N3 and a molecular weight of 255.00 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate
PubChem CID88601942
Molecular FormulaC8H11BF5N3
Molecular Weight255.00 g/mol
Exact Mass255.10
IUPAC Name6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate
SMILESC=CCNc1ccc(F)n[n+]1C.F[B-](F)(F)F
InChIInChI=1S/C8H10FN3.BF4/c1-3-6-10-8-5-4-7(9)11-12(8)2;2-1(3,4)5/h3-5H,1,6H2,2H3;/q;-1/p+1
InChIKeyIKIAPMBIVRPNCA-UHFFFAOYSA-O
XLogP1.94
TPSA28.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine
CID 19788525
6-Fluoro-2-methylpyridazin-2-ium-3-amine
CID 19788546
6-Fluoro-2-prop-2-enylpyridazin-2-ium-3-amine
CID 53979722
6-fluoro-2-methyl-N-propan-2-ylpyridazin-2-ium-3-amine
CID 54088032
2-[(6-Fluoro-2-methylpyridazin-2-ium-3-yl)amino]ethanol
CID 54308525
N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 79040501
6-fluoro-N-(2-methoxyethyl)-2-methylpyridazin-2-ium-3-amine
CID 88601872
N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
CID 104854489
3-N-(4,4,4-trifluorobutan-2-yl)pyridazine-3,6-diamine
CID 105939708
3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine
CID 106296039
3-N-(2,2,2-trifluoroethyl)pyridazine-3,6-diamine
CID 116455243
3-N-(3,3,3-trifluoropropyl)pyridazine-3,6-diamine
CID 116455726

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate?
The IUPAC name of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate (CID 88601942) is 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate.
What is the SMILES notation for 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate?
The canonical SMILES for 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate is C=CCNc1ccc(F)n[n+]1C.F[B-](F)(F)F.
What is the InChIKey of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate?
The InChIKey is IKIAPMBIVRPNCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10FN3.BF4/c1-3-6-10-8-5-4-7(9)11-12(8)2;2-1(3,4)5/h3-5H,1,6H2,2H3;/q;-1/p+1.
What are the key properties of 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate?
6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate has a molecular weight of 255.00 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-prop-2-enylpyridazin-2-ium-3-amine tetrafluoroborate is sourced from PubChem (CID 88601942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).