CID 88965815

C12H10BFN2O — CID 88965815

IUPAC—
SMILES[B]C(C)c1nccc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H10BFN2O/c1-8(13)12-15-7-6-11(17)16(12)10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyNGPVZJBDUBGGNI-UHFFFAOYSA-N
MW228.03 g/mol
LogP1.60
Rot. Bonds2

About CID 88965815

CID 88965815 (PubChem CID 88965815) has the molecular formula C12H10BFN2O and a molecular weight of 228.03 g/mol.

Molecular Properties

Compound NameCID 88965815
PubChem CID88965815
Molecular FormulaC12H10BFN2O
Molecular Weight228.03 g/mol
Exact Mass228.09
IUPAC Name—
SMILES[B]C(C)c1nccc(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C12H10BFN2O/c1-8(13)12-15-7-6-11(17)16(12)10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyNGPVZJBDUBGGNI-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 88965815?
The IUPAC name of CID 88965815 (CID 88965815) is not available.
What is the SMILES notation for CID 88965815?
The canonical SMILES for CID 88965815 is [B]C(C)c1nccc(=O)n1-c1ccc(F)cc1.
What is the InChIKey of CID 88965815?
The InChIKey is NGPVZJBDUBGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BFN2O/c1-8(13)12-15-7-6-11(17)16(12)10-4-2-9(14)3-5-10/h2-8H,1H3.
What are the key properties of CID 88965815?
CID 88965815 has a molecular weight of 228.03 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88965815 is sourced from PubChem (CID 88965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).