2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone

C11H14ClFOSi — CID 151305361

IUPAC2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone
SMILESC[Si](C)(Cc1ccccc1F)C(=O)CCl
InChIInChI=1S/C11H14ClFOSi/c1-15(2,11(14)7-12)8-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyODHBTJYXPQVRAT-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone

2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone (PubChem CID 151305361) has the molecular formula C11H14ClFOSi and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone
PubChem CID151305361
Molecular FormulaC11H14ClFOSi
Molecular Weight244.77 g/mol
Exact Mass244.05
IUPAC Name2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone
SMILESC[Si](C)(Cc1ccccc1F)C(=O)CCl
InChIInChI=1S/C11H14ClFOSi/c1-15(2,11(14)7-12)8-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyODHBTJYXPQVRAT-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.96
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'}

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Related Compounds

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2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
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(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
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N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
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2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanone
CID 106687680
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone?
The IUPAC name of 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone (CID 151305361) is 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone?
The canonical SMILES for 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone is C[Si](C)(Cc1ccccc1F)C(=O)CCl.
What is the InChIKey of 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone?
The InChIKey is ODHBTJYXPQVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFOSi/c1-15(2,11(14)7-12)8-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone?
2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone has a molecular weight of 244.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2-fluorophenyl)methyl-dimethylsilyl]ethanone is sourced from PubChem (CID 151305361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).