fluoroboronic acid;octakis(1-propylimidazole)

C48H88B4F4N16O8 — CID 173216123

IUPACfluoroboronic acid;octakis(1-propylimidazole)
SMILESCCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C6H10N2.4BFH2O2/c8*1-2-4-8-5-3-7-6-8;4*2-1(3)4/h8*3,5-6H,2,4H2,1H3;4*3-4H
InChIKeyBIIIQFFLQBXYEV-UHFFFAOYSA-N
MW1136.58 g/mol
LogP6.05
Rot. Bonds16

About fluoroboronic acid;octakis(1-propylimidazole)

fluoroboronic acid;octakis(1-propylimidazole) (PubChem CID 173216123) has the molecular formula C48H88B4F4N16O8 and a molecular weight of 1136.58 g/mol. Its IUPAC name is fluoroboronic acid;octakis(1-propylimidazole).

Molecular Properties

Compound Namefluoroboronic acid;octakis(1-propylimidazole)
PubChem CID173216123
Molecular FormulaC48H88B4F4N16O8
Molecular Weight1136.58 g/mol
Exact Mass1136.73
IUPAC Namefluoroboronic acid;octakis(1-propylimidazole)
SMILESCCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C6H10N2.4BFH2O2/c8*1-2-4-8-5-3-7-6-8;4*2-1(3)4/h8*3,5-6H,2,4H2,1H3;4*3-4H
InChIKeyBIIIQFFLQBXYEV-UHFFFAOYSA-N
XLogP6.05
TPSA304.40 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001136.58
LogP ≤ 56.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
phosphoric acid;1-propylimidazole
CID 159096406
bis(1-propylimidazole);sulfuric acid
CID 86038795
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
fluoroboronic acid;1-methylimidazole
CID 67999343
sodium;1-butylimidazole;bromide
CID 175480877
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653
benzoic acid;1-propylimidazole
CID 173073057
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
carbonic acid;1-dodecylimidazole
CID 175596781
2-imidazol-1-ylethanol
CID 159023310

Frequently Asked Questions

What is the IUPAC name of fluoroboronic acid;octakis(1-propylimidazole)?
The IUPAC name of fluoroboronic acid;octakis(1-propylimidazole) (CID 173216123) is fluoroboronic acid;octakis(1-propylimidazole).
What is the SMILES notation for fluoroboronic acid;octakis(1-propylimidazole)?
The canonical SMILES for fluoroboronic acid;octakis(1-propylimidazole) is CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.OB(O)F.OB(O)F.OB(O)F.OB(O)F.
What is the InChIKey of fluoroboronic acid;octakis(1-propylimidazole)?
The InChIKey is BIIIQFFLQBXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/8C6H10N2.4BFH2O2/c8*1-2-4-8-5-3-7-6-8;4*2-1(3)4/h8*3,5-6H,2,4H2,1H3;4*3-4H.
What are the key properties of fluoroboronic acid;octakis(1-propylimidazole)?
fluoroboronic acid;octakis(1-propylimidazole) has a molecular weight of 1136.58 g/mol, XLogP of 6.05, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroboronic acid;octakis(1-propylimidazole) is sourced from PubChem (CID 173216123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).