2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane

C7H15Cl3Se — CID 23255796

IUPAC2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane
SMILESCC(C)(C)C(Cl)C[Se](C)(Cl)Cl
InChIInChI=1S/C7H15Cl3Se/c1-7(2,3)6(8)5-11(4,9)10/h6H,5H2,1-4H3
InChIKeyNWFFZAVBKBWDAS-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.19
Rot. Bonds2

About 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane

2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane (PubChem CID 23255796) has the molecular formula C7H15Cl3Se and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane.

Molecular Properties

Compound Name2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane
PubChem CID23255796
Molecular FormulaC7H15Cl3Se
Molecular Weight284.52 g/mol
Exact Mass283.94
IUPAC Name2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane
SMILESCC(C)(C)C(Cl)C[Se](C)(Cl)Cl
InChIInChI=1S/C7H15Cl3Se/c1-7(2,3)6(8)5-11(4,9)10/h6H,5H2,1-4H3
InChIKeyNWFFZAVBKBWDAS-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.19
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-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane 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-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane?
The IUPAC name of 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane (CID 23255796) is 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane.
What is the SMILES notation for 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane?
The canonical SMILES for 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane is CC(C)(C)C(Cl)C[Se](C)(Cl)Cl.
What is the InChIKey of 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane?
The InChIKey is NWFFZAVBKBWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl3Se/c1-7(2,3)6(8)5-11(4,9)10/h6H,5H2,1-4H3.
What are the key properties of 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane?
2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane has a molecular weight of 284.52 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[dichloro(methyl)-λ4-selanyl]-3,3-dimethylbutane is sourced from PubChem (CID 23255796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).