CID 162409929

C15H17BF2N2O — CID 162409929

IUPAC—
SMILESCOc1cccc(C(C[B-]c2n(C)cc[n+]2C)=C(F)F)c1
InChIInChI=1S/C15H17BF2N2O/c1-19-7-8-20(2)15(19)16-10-13(14(17)18)11-5-4-6-12(9-11)21-3/h4-9H,10H2,1-3H3
InChIKeyJYVBZJGNVYQQQD-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.91
Rot. Bonds5

About CID 162409929

CID 162409929 (PubChem CID 162409929) has the molecular formula C15H17BF2N2O and a molecular weight of 290.12 g/mol.

Molecular Properties

Compound NameCID 162409929
PubChem CID162409929
Molecular FormulaC15H17BF2N2O
Molecular Weight290.12 g/mol
Exact Mass290.14
IUPAC Name—
SMILESCOc1cccc(C(C[B-]c2n(C)cc[n+]2C)=C(F)F)c1
InChIInChI=1S/C15H17BF2N2O/c1-19-7-8-20(2)15(19)16-10-13(14(17)18)11-5-4-6-12(9-11)21-3/h4-9H,10H2,1-3H3
InChIKeyJYVBZJGNVYQQQD-UHFFFAOYSA-N
XLogP1.91
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-[2-(2-Methylphenoxy)ethyl]imidazole
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1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
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1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
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CID 2843475
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CID 17951743
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1-[2-(3-methylphenoxy)ethyl]-1H-imidazole
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1-[2-(3,5-dimethylphenoxy)ethyl]-1H-imidazole
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1-[3-(4-tert-butylphenoxy)propyl]-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of CID 162409929?
The IUPAC name of CID 162409929 (CID 162409929) is not available.
What is the SMILES notation for CID 162409929?
The canonical SMILES for CID 162409929 is COc1cccc(C(C[B-]c2n(C)cc[n+]2C)=C(F)F)c1.
What is the InChIKey of CID 162409929?
The InChIKey is JYVBZJGNVYQQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BF2N2O/c1-19-7-8-20(2)15(19)16-10-13(14(17)18)11-5-4-6-12(9-11)21-3/h4-9H,10H2,1-3H3.
What are the key properties of CID 162409929?
CID 162409929 has a molecular weight of 290.12 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162409929 is sourced from PubChem (CID 162409929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).