CID 166076692

C14H8B2F2N2O2 — CID 166076692

IUPAC—
SMILES[B]c1cc(F)c2c(c1)B(F)C1(O)c3ncccc3C(=O)N1C2
InChIInChI=1S/C14H8B2F2N2O2/c15-7-4-10-9(11(17)5-7)6-20-13(21)8-2-1-3-19-12(8)14(20,22)16(10)18/h1-5,22H,6H2
InChIKeyCEUGFZRBPBQKPB-UHFFFAOYSA-N
MW295.85 g/mol
LogP-0.46
Rot. Bonds

About CID 166076692

CID 166076692 (PubChem CID 166076692) has the molecular formula C14H8B2F2N2O2 and a molecular weight of 295.85 g/mol.

Molecular Properties

Compound NameCID 166076692
PubChem CID166076692
Molecular FormulaC14H8B2F2N2O2
Molecular Weight295.85 g/mol
Exact Mass296.07
IUPAC Name—
SMILES[B]c1cc(F)c2c(c1)B(F)C1(O)c3ncccc3C(=O)N1C2
InChIInChI=1S/C14H8B2F2N2O2/c15-7-4-10-9(11(17)5-7)6-20-13(21)8-2-1-3-19-12(8)14(20,22)16(10)18/h1-5,22H,6H2
InChIKeyCEUGFZRBPBQKPB-UHFFFAOYSA-N
XLogP-0.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 166076692?
The IUPAC name of CID 166076692 (CID 166076692) is not available.
What is the SMILES notation for CID 166076692?
The canonical SMILES for CID 166076692 is [B]c1cc(F)c2c(c1)B(F)C1(O)c3ncccc3C(=O)N1C2.
What is the InChIKey of CID 166076692?
The InChIKey is CEUGFZRBPBQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8B2F2N2O2/c15-7-4-10-9(11(17)5-7)6-20-13(21)8-2-1-3-19-12(8)14(20,22)16(10)18/h1-5,22H,6H2.
What are the key properties of CID 166076692?
CID 166076692 has a molecular weight of 295.85 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166076692 is sourced from PubChem (CID 166076692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).