CID 142320633

C6H2BF4N — CID 142320633

IUPAC—
SMILES[B]c1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C6H2BF4N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H
InChIKeyIBRWFIAMNSSHPX-UHFFFAOYSA-N
MW174.89 g/mol
LogP1.03
Rot. Bonds

About CID 142320633

CID 142320633 (PubChem CID 142320633) has the molecular formula C6H2BF4N and a molecular weight of 174.89 g/mol.

Molecular Properties

Compound NameCID 142320633
PubChem CID142320633
Molecular FormulaC6H2BF4N
Molecular Weight174.89 g/mol
Exact Mass175.02
IUPAC Name—
SMILES[B]c1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C6H2BF4N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H
InChIKeyIBRWFIAMNSSHPX-UHFFFAOYSA-N
XLogP1.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.89
LogP ≤ 51.03
H-Bond Donors ≤ 50
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 142320633?
The IUPAC name of CID 142320633 (CID 142320633) is not available.
What is the SMILES notation for CID 142320633?
The canonical SMILES for CID 142320633 is [B]c1cnc(C(F)(F)F)c(F)c1.
What is the InChIKey of CID 142320633?
The InChIKey is IBRWFIAMNSSHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BF4N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H.
What are the key properties of CID 142320633?
CID 142320633 has a molecular weight of 174.89 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142320633 is sourced from PubChem (CID 142320633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).