CID 140883344

C10H5BFNO5 — CID 140883344

IUPAC—
SMILES[B]OC(=O)C(F)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5BFNO5/c11-17-10(16)7(12)18-13-8(14)5-3-1-2-4-6(5)9(13)15/h1-4,7H
InChIKeyROPUGWXVWXOKQB-UHFFFAOYSA-N
MW248.96 g/mol
LogP0.14
Rot. Bonds3

About CID 140883344

CID 140883344 (PubChem CID 140883344) has the molecular formula C10H5BFNO5 and a molecular weight of 248.96 g/mol.

Molecular Properties

Compound NameCID 140883344
PubChem CID140883344
Molecular FormulaC10H5BFNO5
Molecular Weight248.96 g/mol
Exact Mass249.02
IUPAC Name—
SMILES[B]OC(=O)C(F)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5BFNO5/c11-17-10(16)7(12)18-13-8(14)5-3-1-2-4-6(5)9(13)15/h1-4,7H
InChIKeyROPUGWXVWXOKQB-UHFFFAOYSA-N
XLogP0.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.96
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140883344?
The IUPAC name of CID 140883344 (CID 140883344) is not available.
What is the SMILES notation for CID 140883344?
The canonical SMILES for CID 140883344 is [B]OC(=O)C(F)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of CID 140883344?
The InChIKey is ROPUGWXVWXOKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BFNO5/c11-17-10(16)7(12)18-13-8(14)5-3-1-2-4-6(5)9(13)15/h1-4,7H.
What are the key properties of CID 140883344?
CID 140883344 has a molecular weight of 248.96 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140883344 is sourced from PubChem (CID 140883344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).