CID 153394121

C5H6BFN2 — CID 153394121

IUPAC—
SMILES[B]C/N=C\C(F)=C/N=C
InChIInChI=1S/C5H6BFN2/c1-8-2-5(7)3-9-4-6/h2-3H,1,4H2/b5-2+,9-3-
InChIKeyOBXBBEOMCDJZBZ-BDMRFBEVSA-N
MW123.93 g/mol
LogP0.69
Rot. Bonds3

About CID 153394121

CID 153394121 (PubChem CID 153394121) has the molecular formula C5H6BFN2 and a molecular weight of 123.93 g/mol.

Molecular Properties

Compound NameCID 153394121
PubChem CID153394121
Molecular FormulaC5H6BFN2
Molecular Weight123.93 g/mol
Exact Mass124.06
IUPAC Name—
SMILES[B]C/N=C\C(F)=C/N=C
InChIInChI=1S/C5H6BFN2/c1-8-2-5(7)3-9-4-6/h2-3H,1,4H2/b5-2+,9-3-
InChIKeyOBXBBEOMCDJZBZ-BDMRFBEVSA-N
XLogP0.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.93
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
CID 126747074
CID 153435657
CID 153435657
CID 161860943
CID 161860943

Frequently Asked Questions

What is the IUPAC name of CID 153394121?
The IUPAC name of CID 153394121 (CID 153394121) is not available.
What is the SMILES notation for CID 153394121?
The canonical SMILES for CID 153394121 is [B]C/N=C\C(F)=C/N=C.
What is the InChIKey of CID 153394121?
The InChIKey is OBXBBEOMCDJZBZ-BDMRFBEVSA-N. The full InChI is InChI=1S/C5H6BFN2/c1-8-2-5(7)3-9-4-6/h2-3H,1,4H2/b5-2+,9-3-.
What are the key properties of CID 153394121?
CID 153394121 has a molecular weight of 123.93 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153394121 is sourced from PubChem (CID 153394121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).