CID 155741888

C15H11BFN — CID 155741888

IUPAC—
SMILES[B]c1ccc2c(c1)CCN=C2c1ccc(F)cc1
InChIInChI=1S/C15H11BFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyRAJOQWHDNHTEPE-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.01
Rot. Bonds1

About CID 155741888

CID 155741888 (PubChem CID 155741888) has the molecular formula C15H11BFN and a molecular weight of 235.07 g/mol.

Molecular Properties

Compound NameCID 155741888
PubChem CID155741888
Molecular FormulaC15H11BFN
Molecular Weight235.07 g/mol
Exact Mass235.10
IUPAC Name—
SMILES[B]c1ccc2c(c1)CCN=C2c1ccc(F)cc1
InChIInChI=1S/C15H11BFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2
InChIKeyRAJOQWHDNHTEPE-UHFFFAOYSA-N
XLogP2.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.01
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 155741888?
The IUPAC name of CID 155741888 (CID 155741888) is not available.
What is the SMILES notation for CID 155741888?
The canonical SMILES for CID 155741888 is [B]c1ccc2c(c1)CCN=C2c1ccc(F)cc1.
What is the InChIKey of CID 155741888?
The InChIKey is RAJOQWHDNHTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BFN/c16-12-3-6-14-11(9-12)7-8-18-15(14)10-1-4-13(17)5-2-10/h1-6,9H,7-8H2.
What are the key properties of CID 155741888?
CID 155741888 has a molecular weight of 235.07 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155741888 is sourced from PubChem (CID 155741888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).