fluoroboronic acid;1-methylimidazole

C4H14B4F4N2O8 — CID 67999343

IUPACfluoroboronic acid;1-methylimidazole
SMILESCn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/C4H6N2.4BFH2O2/c1-6-3-2-5-4-6;4*2-1(3)4/h2-4H,1H3;4*3-4H
InChIKeyJAYWKWGUKKTCFS-UHFFFAOYSA-N
MW337.40 g/mol
LogP-3.88
Rot. Bonds

About fluoroboronic acid;1-methylimidazole

fluoroboronic acid;1-methylimidazole (PubChem CID 67999343) has the molecular formula C4H14B4F4N2O8 and a molecular weight of 337.40 g/mol. Its IUPAC name is fluoroboronic acid;1-methylimidazole.

Molecular Properties

Compound Namefluoroboronic acid;1-methylimidazole
PubChem CID67999343
Molecular FormulaC4H14B4F4N2O8
Molecular Weight337.40 g/mol
Exact Mass338.11
IUPAC Namefluoroboronic acid;1-methylimidazole
SMILESCn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/C4H6N2.4BFH2O2/c1-6-3-2-5-4-6;4*2-1(3)4/h2-4H,1H3;4*3-4H
InChIKeyJAYWKWGUKKTCFS-UHFFFAOYSA-N
XLogP-3.88
TPSA179.66 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.40
LogP ≤ 5-3.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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 fluoroboronic acid;1-methylimidazole?
The IUPAC name of fluoroboronic acid;1-methylimidazole (CID 67999343) is fluoroboronic acid;1-methylimidazole.
What is the SMILES notation for fluoroboronic acid;1-methylimidazole?
The canonical SMILES for fluoroboronic acid;1-methylimidazole is Cn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F.
What is the InChIKey of fluoroboronic acid;1-methylimidazole?
The InChIKey is JAYWKWGUKKTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.4BFH2O2/c1-6-3-2-5-4-6;4*2-1(3)4/h2-4H,1H3;4*3-4H.
What are the key properties of fluoroboronic acid;1-methylimidazole?
fluoroboronic acid;1-methylimidazole has a molecular weight of 337.40 g/mol, XLogP of -3.88, 0 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroboronic acid;1-methylimidazole is sourced from PubChem (CID 67999343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).