2-chloro-1-trichlorosilylethanone

C2H2Cl4OSi — CID 89427447

IUPAC2-chloro-1-trichlorosilylethanone
SMILESO=C(CCl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl4OSi/c3-1-2(7)8(4,5)6/h1H2
InChIKeyJWUIDZGJCNETQO-UHFFFAOYSA-N
MW211.94 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-1-trichlorosilylethanone

2-chloro-1-trichlorosilylethanone (PubChem CID 89427447) has the molecular formula C2H2Cl4OSi and a molecular weight of 211.94 g/mol. Its IUPAC name is 2-chloro-1-trichlorosilylethanone.

Molecular Properties

Compound Name2-chloro-1-trichlorosilylethanone
PubChem CID89427447
Molecular FormulaC2H2Cl4OSi
Molecular Weight211.94 g/mol
Exact Mass209.86
IUPAC Name2-chloro-1-trichlorosilylethanone
SMILESO=C(CCl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl4OSi/c3-1-2(7)8(4,5)6/h1H2
InChIKeyJWUIDZGJCNETQO-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.94
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloropropan-2-one
CID 10793
1,5-dichloro-3-methylidenepentane-2,4-dione
CID 20515761
2-chloroacetyl chloride;silane
CID 174549758
beryllium bis(2-chloroacetate)
CID 146405283
2-chloroacetic acid;silver
CID 87585147
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
tris(2-chloroacetate);iron(3+)
CID 54761770
2-chloroacetyl chloride;ethane
CID 144520290
2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone
CID 151305361
carbonic acid;dichloromethane
CID 87514103
2-chloroacetic acid;hexane-1,6-diol
CID 175199325
acetic acid;2-chloroacetic acid
CID 87108271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-trichlorosilylethanone?
The IUPAC name of 2-chloro-1-trichlorosilylethanone (CID 89427447) is 2-chloro-1-trichlorosilylethanone.
What is the SMILES notation for 2-chloro-1-trichlorosilylethanone?
The canonical SMILES for 2-chloro-1-trichlorosilylethanone is O=C(CCl)[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-chloro-1-trichlorosilylethanone?
The InChIKey is JWUIDZGJCNETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl4OSi/c3-1-2(7)8(4,5)6/h1H2.
What are the key properties of 2-chloro-1-trichlorosilylethanone?
2-chloro-1-trichlorosilylethanone has a molecular weight of 211.94 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-trichlorosilylethanone is sourced from PubChem (CID 89427447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).