CID 175350764

C7H8BBrFO2 — CID 175350764

IUPAC—
SMILESFc1cccc(CBr)c1.O[B]O
InChIInChI=1S/C7H6BrF.BH2O2/c8-5-6-2-1-3-7(9)4-6;2-1-3/h1-4H,5H2;2-3H
InChIKeySYNPKWQDYZMWIT-UHFFFAOYSA-N
MW233.85 g/mol
LogP1.23
Rot. Bonds1

About CID 175350764

CID 175350764 (PubChem CID 175350764) has the molecular formula C7H8BBrFO2 and a molecular weight of 233.85 g/mol.

Molecular Properties

Compound NameCID 175350764
PubChem CID175350764
Molecular FormulaC7H8BBrFO2
Molecular Weight233.85 g/mol
Exact Mass232.98
IUPAC Name—
SMILESFc1cccc(CBr)c1.O[B]O
InChIInChI=1S/C7H6BrF.BH2O2/c8-5-6-2-1-3-7(9)4-6;2-1-3/h1-4H,5H2;2-3H
InChIKeySYNPKWQDYZMWIT-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.85
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175350764?
The IUPAC name of CID 175350764 (CID 175350764) is not available.
What is the SMILES notation for CID 175350764?
The canonical SMILES for CID 175350764 is Fc1cccc(CBr)c1.O[B]O.
What is the InChIKey of CID 175350764?
The InChIKey is SYNPKWQDYZMWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF.BH2O2/c8-5-6-2-1-3-7(9)4-6;2-1-3/h1-4H,5H2;2-3H.
What are the key properties of CID 175350764?
CID 175350764 has a molecular weight of 233.85 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175350764 is sourced from PubChem (CID 175350764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).