CID 152848151

C14H7BF3NS — CID 152848151

IUPAC—
SMILES[B]c1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1
InChIInChI=1S/C14H7BF3NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
InChIKeyBVOQZBBIZDICHY-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.78
Rot. Bonds1

About CID 152848151

CID 152848151 (PubChem CID 152848151) has the molecular formula C14H7BF3NS and a molecular weight of 289.09 g/mol.

Molecular Properties

Compound NameCID 152848151
PubChem CID152848151
Molecular FormulaC14H7BF3NS
Molecular Weight289.09 g/mol
Exact Mass289.03
IUPAC Name—
SMILES[B]c1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1
InChIInChI=1S/C14H7BF3NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H
InChIKeyBVOQZBBIZDICHY-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 53.78
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 152848151?
The IUPAC name of CID 152848151 (CID 152848151) is not available.
What is the SMILES notation for CID 152848151?
The canonical SMILES for CID 152848151 is [B]c1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1.
What is the InChIKey of CID 152848151?
The InChIKey is BVOQZBBIZDICHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BF3NS/c15-10-4-1-8(2-5-10)13-19-11-7-9(14(16,17)18)3-6-12(11)20-13/h1-7H.
What are the key properties of CID 152848151?
CID 152848151 has a molecular weight of 289.09 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152848151 is sourced from PubChem (CID 152848151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).