(2-bromo-2,2-difluoroethyl)selanylbenzene

C8H7BrF2Se — CID 12578037

IUPAC(2-bromo-2,2-difluoroethyl)selanylbenzene
SMILESFC(F)(Br)C[Se]c1ccccc1
InChIInChI=1S/C8H7BrF2Se/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXPLSRHUPALHOFZ-UHFFFAOYSA-N
MW300.00 g/mol
LogP2.42
Rot. Bonds3

About (2-bromo-2,2-difluoroethyl)selanylbenzene

(2-bromo-2,2-difluoroethyl)selanylbenzene (PubChem CID 12578037) has the molecular formula C8H7BrF2Se and a molecular weight of 300.00 g/mol. Its IUPAC name is (2-bromo-2,2-difluoroethyl)selanylbenzene.

Molecular Properties

Compound Name(2-bromo-2,2-difluoroethyl)selanylbenzene
PubChem CID12578037
Molecular FormulaC8H7BrF2Se
Molecular Weight300.00 g/mol
Exact Mass299.89
IUPAC Name(2-bromo-2,2-difluoroethyl)selanylbenzene
SMILESFC(F)(Br)C[Se]c1ccccc1
InChIInChI=1S/C8H7BrF2Se/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyXPLSRHUPALHOFZ-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.00
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-bromo-2,2-difluoroethyl)selanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2,2-difluoroethyl)selanylbenzene?
The IUPAC name of (2-bromo-2,2-difluoroethyl)selanylbenzene (CID 12578037) is (2-bromo-2,2-difluoroethyl)selanylbenzene.
What is the SMILES notation for (2-bromo-2,2-difluoroethyl)selanylbenzene?
The canonical SMILES for (2-bromo-2,2-difluoroethyl)selanylbenzene is FC(F)(Br)C[Se]c1ccccc1.
What is the InChIKey of (2-bromo-2,2-difluoroethyl)selanylbenzene?
The InChIKey is XPLSRHUPALHOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2Se/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of (2-bromo-2,2-difluoroethyl)selanylbenzene?
(2-bromo-2,2-difluoroethyl)selanylbenzene has a molecular weight of 300.00 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2,2-difluoroethyl)selanylbenzene is sourced from PubChem (CID 12578037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).