fluoroboronic acid;bis(1-pentylimidazole)

C16H30BFN4O2 — CID 173201251

IUPACfluoroboronic acid;bis(1-pentylimidazole)
SMILESCCCCCn1ccnc1.CCCCCn1ccnc1.OB(O)F
InChIInChI=1S/2C8H14N2.BFH2O2/c2*1-2-3-4-6-10-7-5-9-8-10;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;3-4H
InChIKeyFXRXXSHDTJDWIU-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.07
Rot. Bonds8

About fluoroboronic acid;bis(1-pentylimidazole)

fluoroboronic acid;bis(1-pentylimidazole) (PubChem CID 173201251) has the molecular formula C16H30BFN4O2 and a molecular weight of 340.25 g/mol. Its IUPAC name is fluoroboronic acid;bis(1-pentylimidazole).

Molecular Properties

Compound Namefluoroboronic acid;bis(1-pentylimidazole)
PubChem CID173201251
Molecular FormulaC16H30BFN4O2
Molecular Weight340.25 g/mol
Exact Mass340.24
IUPAC Namefluoroboronic acid;bis(1-pentylimidazole)
SMILESCCCCCn1ccnc1.CCCCCn1ccnc1.OB(O)F
InChIInChI=1S/2C8H14N2.BFH2O2/c2*1-2-3-4-6-10-7-5-9-8-10;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;3-4H
InChIKeyFXRXXSHDTJDWIU-UHFFFAOYSA-N
XLogP3.07
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

fluoroboronic acid;octakis(1-propylimidazole)
CID 173216123
1-nonylimidazole;hydrobromide
CID 175434544
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CID 175596781
acetic acid;1-decylimidazole
CID 175546754
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
sodium;1-butylimidazole;bromide
CID 175480877
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-butylimidazole;hydron;hexafluorophosphate
CID 174546653
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923

Frequently Asked Questions

What is the IUPAC name of fluoroboronic acid;bis(1-pentylimidazole)?
The IUPAC name of fluoroboronic acid;bis(1-pentylimidazole) (CID 173201251) is fluoroboronic acid;bis(1-pentylimidazole).
What is the SMILES notation for fluoroboronic acid;bis(1-pentylimidazole)?
The canonical SMILES for fluoroboronic acid;bis(1-pentylimidazole) is CCCCCn1ccnc1.CCCCCn1ccnc1.OB(O)F.
What is the InChIKey of fluoroboronic acid;bis(1-pentylimidazole)?
The InChIKey is FXRXXSHDTJDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.BFH2O2/c2*1-2-3-4-6-10-7-5-9-8-10;2-1(3)4/h2*5,7-8H,2-4,6H2,1H3;3-4H.
What are the key properties of fluoroboronic acid;bis(1-pentylimidazole)?
fluoroboronic acid;bis(1-pentylimidazole) has a molecular weight of 340.25 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroboronic acid;bis(1-pentylimidazole) is sourced from PubChem (CID 173201251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).