(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite

C7H3Cl2FOSe — CID 91620635

IUPAC(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite
SMILESO=C(Cl)c1cc(F)ccc1[Se]Cl
InChIInChI=1S/C7H3Cl2FOSe/c8-7(11)5-3-4(10)1-2-6(5)12-9/h1-3H
InChIKeyTWVPQXLXGPOLGI-UHFFFAOYSA-N
MW271.96 g/mol
LogP1.69
Rot. Bonds2

About (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite

(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite (PubChem CID 91620635) has the molecular formula C7H3Cl2FOSe and a molecular weight of 271.96 g/mol. Its IUPAC name is (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite.

Molecular Properties

Compound Name(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite
PubChem CID91620635
Molecular FormulaC7H3Cl2FOSe
Molecular Weight271.96 g/mol
Exact Mass271.87
IUPAC Name(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite
SMILESO=C(Cl)c1cc(F)ccc1[Se]Cl
InChIInChI=1S/C7H3Cl2FOSe/c8-7(11)5-3-4(10)1-2-6(5)12-9/h1-3H
InChIKeyTWVPQXLXGPOLGI-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite?
The IUPAC name of (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite (CID 91620635) is (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite.
What is the SMILES notation for (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite?
The canonical SMILES for (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite is O=C(Cl)c1cc(F)ccc1[Se]Cl.
What is the InChIKey of (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite?
The InChIKey is TWVPQXLXGPOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FOSe/c8-7(11)5-3-4(10)1-2-6(5)12-9/h1-3H.
What are the key properties of (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite?
(2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite has a molecular weight of 271.96 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbonochloridoyl-4-fluorophenyl) selenohypochlorite is sourced from PubChem (CID 91620635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).