1-bromoethylbenzene;rutherfordium

C8H8BrRf- — CID 134855619

IUPAC1-bromoethylbenzene;rutherfordium
SMILESCC(Br)c1cc[c-]cc1.[Rf]
InChIInChI=1S/C8H8Br.Rf/c1-7(9)8-5-3-2-4-6-8;/h3-7H,1H3;/q-1;
InChIKeyTYSKUIQZPLVCGZ-UHFFFAOYSA-N
MW451.06 g/mol
LogP2.94
Rot. Bonds1

About 1-bromoethylbenzene;rutherfordium

1-bromoethylbenzene;rutherfordium (PubChem CID 134855619) has the molecular formula C8H8BrRf- and a molecular weight of 451.06 g/mol. Its IUPAC name is 1-bromoethylbenzene;rutherfordium.

Molecular Properties

Compound Name1-bromoethylbenzene;rutherfordium
PubChem CID134855619
Molecular FormulaC8H8BrRf-
Molecular Weight451.06 g/mol
Exact Mass450.10
IUPAC Name1-bromoethylbenzene;rutherfordium
SMILESCC(Br)c1cc[c-]cc1.[Rf]
InChIInChI=1S/C8H8Br.Rf/c1-7(9)8-5-3-2-4-6-8;/h3-7H,1H3;/q-1;
InChIKeyTYSKUIQZPLVCGZ-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromoethylbenzene;rutherfordium 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 1-bromoethylbenzene;rutherfordium?
The IUPAC name of 1-bromoethylbenzene;rutherfordium (CID 134855619) is 1-bromoethylbenzene;rutherfordium.
What is the SMILES notation for 1-bromoethylbenzene;rutherfordium?
The canonical SMILES for 1-bromoethylbenzene;rutherfordium is CC(Br)c1cc[c-]cc1.[Rf].
What is the InChIKey of 1-bromoethylbenzene;rutherfordium?
The InChIKey is TYSKUIQZPLVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br.Rf/c1-7(9)8-5-3-2-4-6-8;/h3-7H,1H3;/q-1;.
What are the key properties of 1-bromoethylbenzene;rutherfordium?
1-bromoethylbenzene;rutherfordium has a molecular weight of 451.06 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethylbenzene;rutherfordium is sourced from PubChem (CID 134855619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).