CID 167367541

C7H4BClF3 — CID 167367541

IUPAC—
SMILESFC(F)(F)c1ccc([B]Cl)cc1
InChIInChI=1S/C7H4BClF3/c9-8-6-3-1-5(2-4-6)7(10,11)12/h1-4H
InChIKeyFPBWANDDXGSUTI-UHFFFAOYSA-N
MW191.37 g/mol
LogP2.19
Rot. Bonds1

About CID 167367541

CID 167367541 (PubChem CID 167367541) has the molecular formula C7H4BClF3 and a molecular weight of 191.37 g/mol.

Molecular Properties

Compound NameCID 167367541
PubChem CID167367541
Molecular FormulaC7H4BClF3
Molecular Weight191.37 g/mol
Exact Mass191.00
IUPAC Name—
SMILESFC(F)(F)c1ccc([B]Cl)cc1
InChIInChI=1S/C7H4BClF3/c9-8-6-3-1-5(2-4-6)7(10,11)12/h1-4H
InChIKeyFPBWANDDXGSUTI-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 167367541?
The IUPAC name of CID 167367541 (CID 167367541) is not available.
What is the SMILES notation for CID 167367541?
The canonical SMILES for CID 167367541 is FC(F)(F)c1ccc([B]Cl)cc1.
What is the InChIKey of CID 167367541?
The InChIKey is FPBWANDDXGSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BClF3/c9-8-6-3-1-5(2-4-6)7(10,11)12/h1-4H.
What are the key properties of CID 167367541?
CID 167367541 has a molecular weight of 191.37 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167367541 is sourced from PubChem (CID 167367541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).