CID 174995783

C16H11BFO2 — CID 174995783

IUPAC—
SMILESFc1cc2cc(-c3cccc4ccccc34)c1-2.O[B]O
InChIInChI=1S/C16H9F.BH2O2/c17-15-9-11-8-14(16(11)15)13-7-3-5-10-4-1-2-6-12(10)13;2-1-3/h1-9H;2-3H
InChIKeyZMIRTKZWGMKBMW-UHFFFAOYSA-N
MW265.07 g/mol
LogP3.13
Rot. Bonds1

About CID 174995783

CID 174995783 (PubChem CID 174995783) has the molecular formula C16H11BFO2 and a molecular weight of 265.07 g/mol.

Molecular Properties

Compound NameCID 174995783
PubChem CID174995783
Molecular FormulaC16H11BFO2
Molecular Weight265.07 g/mol
Exact Mass265.08
IUPAC Name—
SMILESFc1cc2cc(-c3cccc4ccccc34)c1-2.O[B]O
InChIInChI=1S/C16H9F.BH2O2/c17-15-9-11-8-14(16(11)15)13-7-3-5-10-4-1-2-6-12(10)13;2-1-3/h1-9H;2-3H
InChIKeyZMIRTKZWGMKBMW-UHFFFAOYSA-N
XLogP3.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 174995783?
The IUPAC name of CID 174995783 (CID 174995783) is not available.
What is the SMILES notation for CID 174995783?
The canonical SMILES for CID 174995783 is Fc1cc2cc(-c3cccc4ccccc34)c1-2.O[B]O.
What is the InChIKey of CID 174995783?
The InChIKey is ZMIRTKZWGMKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F.BH2O2/c17-15-9-11-8-14(16(11)15)13-7-3-5-10-4-1-2-6-12(10)13;2-1-3/h1-9H;2-3H.
What are the key properties of CID 174995783?
CID 174995783 has a molecular weight of 265.07 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174995783 is sourced from PubChem (CID 174995783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).