CID 143474743

C9H8BF3N2 — CID 143474743

IUPAC—
SMILES[B]C1CC(C(F)(F)F)=Cc2nc(C)[nH]c21
InChIInChI=1S/C9H8BF3N2/c1-4-14-7-3-5(9(11,12)13)2-6(10)8(7)15-4/h3,6H,2H2,1H3,(H,14,15)
InChIKeyCXPCSVGAVWVBJF-UHFFFAOYSA-N
MW211.98 g/mol
LogP2.28
Rot. Bonds

About CID 143474743

CID 143474743 (PubChem CID 143474743) has the molecular formula C9H8BF3N2 and a molecular weight of 211.98 g/mol.

Molecular Properties

Compound NameCID 143474743
PubChem CID143474743
Molecular FormulaC9H8BF3N2
Molecular Weight211.98 g/mol
Exact Mass212.07
IUPAC Name—
SMILES[B]C1CC(C(F)(F)F)=Cc2nc(C)[nH]c21
InChIInChI=1S/C9H8BF3N2/c1-4-14-7-3-5(9(11,12)13)2-6(10)8(7)15-4/h3,6H,2H2,1H3,(H,14,15)
InChIKeyCXPCSVGAVWVBJF-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.98
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 143474743?
The IUPAC name of CID 143474743 (CID 143474743) is not available.
What is the SMILES notation for CID 143474743?
The canonical SMILES for CID 143474743 is [B]C1CC(C(F)(F)F)=Cc2nc(C)[nH]c21.
What is the InChIKey of CID 143474743?
The InChIKey is CXPCSVGAVWVBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BF3N2/c1-4-14-7-3-5(9(11,12)13)2-6(10)8(7)15-4/h3,6H,2H2,1H3,(H,14,15).
What are the key properties of CID 143474743?
CID 143474743 has a molecular weight of 211.98 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143474743 is sourced from PubChem (CID 143474743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).