CID 155712415

C5H2BF2N — CID 155712415

IUPAC—
SMILES[B]c1ncc(F)cc1F
InChIInChI=1S/C5H2BF2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKeyDEUZHTQTBJHCSJ-UHFFFAOYSA-N
MW124.89 g/mol
LogP0.15
Rot. Bonds

About CID 155712415

CID 155712415 (PubChem CID 155712415) has the molecular formula C5H2BF2N and a molecular weight of 124.89 g/mol.

Molecular Properties

Compound NameCID 155712415
PubChem CID155712415
Molecular FormulaC5H2BF2N
Molecular Weight124.89 g/mol
Exact Mass125.02
IUPAC Name—
SMILES[B]c1ncc(F)cc1F
InChIInChI=1S/C5H2BF2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKeyDEUZHTQTBJHCSJ-UHFFFAOYSA-N
XLogP0.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.89
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 CID 155712415?
The IUPAC name of CID 155712415 (CID 155712415) is not available.
What is the SMILES notation for CID 155712415?
The canonical SMILES for CID 155712415 is [B]c1ncc(F)cc1F.
What is the InChIKey of CID 155712415?
The InChIKey is DEUZHTQTBJHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BF2N/c6-5-4(8)1-3(7)2-9-5/h1-2H.
What are the key properties of CID 155712415?
CID 155712415 has a molecular weight of 124.89 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155712415 is sourced from PubChem (CID 155712415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).