[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate

C10H19FO2Si — CID 10465987

IUPAC[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate
SMILESCC(=O)OC1CCCC([Si](C)(C)F)C1
InChIInChI=1S/C10H19FO2Si/c1-8(12)13-9-5-4-6-10(7-9)14(2,3)11/h9-10H,4-7H2,1-3H3
InChIKeyABNDZJIWWCEAHU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.04
Rot. Bonds2

About [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate

[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate (PubChem CID 10465987) has the molecular formula C10H19FO2Si and a molecular weight of 218.34 g/mol. Its IUPAC name is [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate
PubChem CID10465987
Molecular FormulaC10H19FO2Si
Molecular Weight218.34 g/mol
Exact Mass218.11
IUPAC Name[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate
SMILESCC(=O)OC1CCCC([Si](C)(C)F)C1
InChIInChI=1S/C10H19FO2Si/c1-8(12)13-9-5-4-6-10(7-9)14(2,3)11/h9-10H,4-7H2,1-3H3
InChIKeyABNDZJIWWCEAHU-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl 2,2-difluoro-2-trimethylsilylacetate
CID 101568451
6-[Fluoro(dimethyl)silyl]hexyl butanoate
CID 89675065
Hexyl 3-[fluoro(dimethyl)silyl]propanoate
CID 89675190
3-[Fluoro(dimethyl)silyl]hexyl propanoate
CID 89675200
Hexyl 4-[fluoro(dimethyl)silyl]butanoate
CID 89675242
Hexyl 2-[fluoro(dimethyl)silyl]acetate
CID 89675392
3-[Fluoro(dimethyl)silyl]hexyl acetate
CID 89675679
Cyclohexyl 3-trifluorosilylpropanoate
CID 174136080
Cyclohexyl 2-methyl-3-trifluorosilylpropanoate
CID 174136081
Hexyl 3-[difluoro(methyl)silyl]propanoate
CID 174136171
Cyclohexyl 3-[difluoro(methyl)silyl]propanoate
CID 174136176
Cyclohexyl 3-[difluoro(methyl)silyl]-2-methylpropanoate
CID 174136178

Frequently Asked Questions

What is the IUPAC name of [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The IUPAC name of [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate (CID 10465987) is [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate.
What is the SMILES notation for [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The canonical SMILES for [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate is CC(=O)OC1CCCC([Si](C)(C)F)C1.
What is the InChIKey of [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The InChIKey is ABNDZJIWWCEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2Si/c1-8(12)13-9-5-4-6-10(7-9)14(2,3)11/h9-10H,4-7H2,1-3H3.
What are the key properties of [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
[3-[fluoro(dimethyl)silyl]cyclohexyl] acetate has a molecular weight of 218.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[fluoro(dimethyl)silyl]cyclohexyl] acetate is sourced from PubChem (CID 10465987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).