(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid

C6H10BFN2O2 — CID 68585613

IUPAC(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid
SMILESCCc1nc(OB(O)F)[nH]c1C
InChIInChI=1S/C6H10BFN2O2/c1-3-5-4(2)9-6(10-5)12-7(8)11/h11H,3H2,1-2H3,(H,9,10)
InChIKeyUAWASVRWMMMJPJ-UHFFFAOYSA-N
MW171.97 g/mol
LogP0.61
Rot. Bonds3

About (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid

(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid (PubChem CID 68585613) has the molecular formula C6H10BFN2O2 and a molecular weight of 171.97 g/mol. Its IUPAC name is (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid.

Molecular Properties

Compound Name(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid
PubChem CID68585613
Molecular FormulaC6H10BFN2O2
Molecular Weight171.97 g/mol
Exact Mass172.08
IUPAC Name(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid
SMILESCCc1nc(OB(O)F)[nH]c1C
InChIInChI=1S/C6H10BFN2O2/c1-3-5-4(2)9-6(10-5)12-7(8)11/h11H,3H2,1-2H3,(H,9,10)
InChIKeyUAWASVRWMMMJPJ-UHFFFAOYSA-N
XLogP0.61
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.97
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid?
The IUPAC name of (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid (CID 68585613) is (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid.
What is the SMILES notation for (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid?
The canonical SMILES for (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid is CCc1nc(OB(O)F)[nH]c1C.
What is the InChIKey of (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid?
The InChIKey is UAWASVRWMMMJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BFN2O2/c1-3-5-4(2)9-6(10-5)12-7(8)11/h11H,3H2,1-2H3,(H,9,10).
What are the key properties of (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid?
(4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid has a molecular weight of 171.97 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methyl-1H-imidazol-2-yl)oxy-fluoroborinic acid is sourced from PubChem (CID 68585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).