CID 175559318

C9H6BFO2 — CID 175559318

IUPAC—
SMILESO=c1ccc2ccccc2o1.[B]F
InChIInChI=1S/C9H6O2.BF/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2/h1-6H;
InChIKeyOYOYDPXCNZJHFI-UHFFFAOYSA-N
MW175.95 g/mol
LogP1.83
Rot. Bonds

About CID 175559318

CID 175559318 (PubChem CID 175559318) has the molecular formula C9H6BFO2 and a molecular weight of 175.95 g/mol.

Molecular Properties

Compound NameCID 175559318
PubChem CID175559318
Molecular FormulaC9H6BFO2
Molecular Weight175.95 g/mol
Exact Mass176.04
IUPAC Name—
SMILESO=c1ccc2ccccc2o1.[B]F
InChIInChI=1S/C9H6O2.BF/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2/h1-6H;
InChIKeyOYOYDPXCNZJHFI-UHFFFAOYSA-N
XLogP1.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.95
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175559318?
The IUPAC name of CID 175559318 (CID 175559318) is not available.
What is the SMILES notation for CID 175559318?
The canonical SMILES for CID 175559318 is O=c1ccc2ccccc2o1.[B]F.
What is the InChIKey of CID 175559318?
The InChIKey is OYOYDPXCNZJHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.BF/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-2/h1-6H;.
What are the key properties of CID 175559318?
CID 175559318 has a molecular weight of 175.95 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175559318 is sourced from PubChem (CID 175559318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).