CID 142532291

C4H2BF3N2 — CID 142532291

IUPAC—
SMILES[B]c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C4H2BF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyOUGWFYZTJGULTH-UHFFFAOYSA-N
MW145.88 g/mol
LogP0.22
Rot. Bonds

About CID 142532291

CID 142532291 (PubChem CID 142532291) has the molecular formula C4H2BF3N2 and a molecular weight of 145.88 g/mol.

Molecular Properties

Compound NameCID 142532291
PubChem CID142532291
Molecular FormulaC4H2BF3N2
Molecular Weight145.88 g/mol
Exact Mass146.03
IUPAC Name—
SMILES[B]c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C4H2BF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10)
InChIKeyOUGWFYZTJGULTH-UHFFFAOYSA-N
XLogP0.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.88
LogP ≤ 50.22
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 142532291?
The IUPAC name of CID 142532291 (CID 142532291) is not available.
What is the SMILES notation for CID 142532291?
The canonical SMILES for CID 142532291 is [B]c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of CID 142532291?
The InChIKey is OUGWFYZTJGULTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BF3N2/c5-3-1-2(9-10-3)4(6,7)8/h1H,(H,9,10).
What are the key properties of CID 142532291?
CID 142532291 has a molecular weight of 145.88 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142532291 is sourced from PubChem (CID 142532291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).