CID 88944352

C15H8BClFN — CID 88944352

IUPAC—
SMILES[B]c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C15H8BClFN/c16-12-8-15(11-7-9(17)5-6-13(11)18)19-14-4-2-1-3-10(12)14/h1-8H
InChIKeySXWZFMIELWRYLD-UHFFFAOYSA-N
MW267.50 g/mol
LogP3.49
Rot. Bonds1

About CID 88944352

CID 88944352 (PubChem CID 88944352) has the molecular formula C15H8BClFN and a molecular weight of 267.50 g/mol.

Molecular Properties

Compound NameCID 88944352
PubChem CID88944352
Molecular FormulaC15H8BClFN
Molecular Weight267.50 g/mol
Exact Mass267.04
IUPAC Name—
SMILES[B]c1cc(-c2cc(Cl)ccc2F)nc2ccccc12
InChIInChI=1S/C15H8BClFN/c16-12-8-15(11-7-9(17)5-6-13(11)18)19-14-4-2-1-3-10(12)14/h1-8H
InChIKeySXWZFMIELWRYLD-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 53.49
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 88944352?
The IUPAC name of CID 88944352 (CID 88944352) is not available.
What is the SMILES notation for CID 88944352?
The canonical SMILES for CID 88944352 is [B]c1cc(-c2cc(Cl)ccc2F)nc2ccccc12.
What is the InChIKey of CID 88944352?
The InChIKey is SXWZFMIELWRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BClFN/c16-12-8-15(11-7-9(17)5-6-13(11)18)19-14-4-2-1-3-10(12)14/h1-8H.
What are the key properties of CID 88944352?
CID 88944352 has a molecular weight of 267.50 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88944352 is sourced from PubChem (CID 88944352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).