2-(2-methoxyethyl)benzenediazonium tetrafluoroborate

C9H11BF4N2O — CID 102909021

IUPAC2-(2-methoxyethyl)benzenediazonium tetrafluoroborate
SMILESCOCCc1ccccc1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C9H11N2O.BF4/c1-12-7-6-8-4-2-3-5-9(8)11-10;2-1(3,4)5/h2-5H,6-7H2,1H3;/q+1;-1
InChIKeyMCDOYBLUPJAJDC-UHFFFAOYSA-N
MW250.00 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate

2-(2-methoxyethyl)benzenediazonium tetrafluoroborate (PubChem CID 102909021) has the molecular formula C9H11BF4N2O and a molecular weight of 250.00 g/mol. Its IUPAC name is 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-(2-methoxyethyl)benzenediazonium tetrafluoroborate
PubChem CID102909021
Molecular FormulaC9H11BF4N2O
Molecular Weight250.00 g/mol
Exact Mass250.09
IUPAC Name2-(2-methoxyethyl)benzenediazonium tetrafluoroborate
SMILESCOCCc1ccccc1[N+]#N.F[B-](F)(F)F
InChIInChI=1S/C9H11N2O.BF4/c1-12-7-6-8-4-2-3-5-9(8)11-10;2-1(3,4)5/h2-5H,6-7H2,1H3;/q+1;-1
InChIKeyMCDOYBLUPJAJDC-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-diazoniophenyl)methyl]benzenediazonium
CID 57324568
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-[2-(2-methoxyethyl)phenyl]acetonitrile
CID 22645928
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
2,3-dimethoxybenzenediazonium tetratetrafluoroborate
CID 173431119
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
CID 70579626
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzenediazonium tetrafluoroborate
CID 87207781
1-(3-iodoprop-1-ynyl)-2-(2-methoxyethyl)benzene
CID 121014119
2-amino-3-(2-methoxyethyl)benzenethiol
CID 102908639
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2,3-bis(2-methoxyethyl)benzamide
CID 140931342
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate?
The IUPAC name of 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate (CID 102909021) is 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate?
The canonical SMILES for 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate is COCCc1ccccc1[N+]#N.F[B-](F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate?
The InChIKey is MCDOYBLUPJAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O.BF4/c1-12-7-6-8-4-2-3-5-9(8)11-10;2-1(3,4)5/h2-5H,6-7H2,1H3;/q+1;-1.
What are the key properties of 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate?
2-(2-methoxyethyl)benzenediazonium tetrafluoroborate has a molecular weight of 250.00 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)benzenediazonium tetrafluoroborate is sourced from PubChem (CID 102909021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).