CID 162556269

C10H10BF3N2 — CID 162556269

IUPAC—
SMILES[B]c1ccc/c(=N\C(=C)C(F)(F)F)n1CC
InChIInChI=1S/C10H10BF3N2/c1-3-16-8(11)5-4-6-9(16)15-7(2)10(12,13)14/h4-6H,2-3H2,1H3/b15-9+
InChIKeyUALZBJDIEJEOGL-OQLLNIDSSA-N
MW226.01 g/mol
LogP1.28
Rot. Bonds2

About CID 162556269

CID 162556269 (PubChem CID 162556269) has the molecular formula C10H10BF3N2 and a molecular weight of 226.01 g/mol.

Molecular Properties

Compound NameCID 162556269
PubChem CID162556269
Molecular FormulaC10H10BF3N2
Molecular Weight226.01 g/mol
Exact Mass226.09
IUPAC Name—
SMILES[B]c1ccc/c(=N\C(=C)C(F)(F)F)n1CC
InChIInChI=1S/C10H10BF3N2/c1-3-16-8(11)5-4-6-9(16)15-7(2)10(12,13)14/h4-6H,2-3H2,1H3/b15-9+
InChIKeyUALZBJDIEJEOGL-OQLLNIDSSA-N
XLogP1.28
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 162556269?
The IUPAC name of CID 162556269 (CID 162556269) is not available.
What is the SMILES notation for CID 162556269?
The canonical SMILES for CID 162556269 is [B]c1ccc/c(=N\C(=C)C(F)(F)F)n1CC.
What is the InChIKey of CID 162556269?
The InChIKey is UALZBJDIEJEOGL-OQLLNIDSSA-N. The full InChI is InChI=1S/C10H10BF3N2/c1-3-16-8(11)5-4-6-9(16)15-7(2)10(12,13)14/h4-6H,2-3H2,1H3/b15-9+.
What are the key properties of CID 162556269?
CID 162556269 has a molecular weight of 226.01 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162556269 is sourced from PubChem (CID 162556269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).