CID 23535242

C16H18BF- — CID 23535242

IUPAC—
SMILESCCCC[B-](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18BF/c1-2-3-13-17(14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-12H,2-3,13H2,1H3/q-1
InChIKeyWASYIYQPWIQDCX-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.23
Rot. Bonds5

About CID 23535242

CID 23535242 (PubChem CID 23535242) has the molecular formula C16H18BF- and a molecular weight of 240.13 g/mol.

Molecular Properties

Compound NameCID 23535242
PubChem CID23535242
Molecular FormulaC16H18BF-
Molecular Weight240.13 g/mol
Exact Mass240.15
IUPAC Name—
SMILESCCCC[B-](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18BF/c1-2-3-13-17(14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-12H,2-3,13H2,1H3/q-1
InChIKeyWASYIYQPWIQDCX-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 23535242?
The IUPAC name of CID 23535242 (CID 23535242) is not available.
What is the SMILES notation for CID 23535242?
The canonical SMILES for CID 23535242 is CCCC[B-](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of CID 23535242?
The InChIKey is WASYIYQPWIQDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BF/c1-2-3-13-17(14-7-5-4-6-8-14)15-9-11-16(18)12-10-15/h4-12H,2-3,13H2,1H3/q-1.
What are the key properties of CID 23535242?
CID 23535242 has a molecular weight of 240.13 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23535242 is sourced from PubChem (CID 23535242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).