CID 156792861

C7H5BBrF — CID 156792861

IUPAC—
SMILES[B]C(F)c1ccc(Br)cc1
InChIInChI=1S/C7H5BBrF/c8-7(10)5-1-3-6(9)4-2-5/h1-4,7H
InChIKeyCQNXRBGUIKIQMJ-UHFFFAOYSA-N
MW198.83 g/mol
LogP2.59
Rot. Bonds1

About CID 156792861

CID 156792861 (PubChem CID 156792861) has the molecular formula C7H5BBrF and a molecular weight of 198.83 g/mol.

Molecular Properties

Compound NameCID 156792861
PubChem CID156792861
Molecular FormulaC7H5BBrF
Molecular Weight198.83 g/mol
Exact Mass197.97
IUPAC Name—
SMILES[B]C(F)c1ccc(Br)cc1
InChIInChI=1S/C7H5BBrF/c8-7(10)5-1-3-6(9)4-2-5/h1-4,7H
InChIKeyCQNXRBGUIKIQMJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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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(4-bromophenyl)-(2,6-difluorophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of CID 156792861?
The IUPAC name of CID 156792861 (CID 156792861) is not available.
What is the SMILES notation for CID 156792861?
The canonical SMILES for CID 156792861 is [B]C(F)c1ccc(Br)cc1.
What is the InChIKey of CID 156792861?
The InChIKey is CQNXRBGUIKIQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BBrF/c8-7(10)5-1-3-6(9)4-2-5/h1-4,7H.
What are the key properties of CID 156792861?
CID 156792861 has a molecular weight of 198.83 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156792861 is sourced from PubChem (CID 156792861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).