CID 88874839

C7H5BBrF — CID 88874839

IUPAC—
SMILES[B]Cc1ccc(Br)cc1F
InChIInChI=1S/C7H5BBrF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyFCBUTGWULOYRFL-UHFFFAOYSA-N
MW198.83 g/mol
LogP2.26
Rot. Bonds1

About CID 88874839

CID 88874839 (PubChem CID 88874839) has the molecular formula C7H5BBrF and a molecular weight of 198.83 g/mol.

Molecular Properties

Compound NameCID 88874839
PubChem CID88874839
Molecular FormulaC7H5BBrF
Molecular Weight198.83 g/mol
Exact Mass197.97
IUPAC Name—
SMILES[B]Cc1ccc(Br)cc1F
InChIInChI=1S/C7H5BBrF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyFCBUTGWULOYRFL-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.83
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 88874839?
The IUPAC name of CID 88874839 (CID 88874839) is not available.
What is the SMILES notation for CID 88874839?
The canonical SMILES for CID 88874839 is [B]Cc1ccc(Br)cc1F.
What is the InChIKey of CID 88874839?
The InChIKey is FCBUTGWULOYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BBrF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2.
What are the key properties of CID 88874839?
CID 88874839 has a molecular weight of 198.83 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88874839 is sourced from PubChem (CID 88874839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).