[(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate

C10H19FO2Si — CID 10353352

IUPAC[(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1[Si](C)(C)F
InChIInChI=1S/C10H19FO2Si/c1-8(12)13-9-6-4-5-7-10(9)14(2,3)11/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyKLEPAAHLEQYUEE-UWVGGRQHSA-N
MW218.34 g/mol
LogP3.04
Rot. Bonds2

About [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate

[(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate (PubChem CID 10353352) has the molecular formula C10H19FO2Si and a molecular weight of 218.34 g/mol. Its IUPAC name is [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate
PubChem CID10353352
Molecular FormulaC10H19FO2Si
Molecular Weight218.34 g/mol
Exact Mass218.11
IUPAC Name[(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1[Si](C)(C)F
InChIInChI=1S/C10H19FO2Si/c1-8(12)13-9-6-4-5-7-10(9)14(2,3)11/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyKLEPAAHLEQYUEE-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The IUPAC name of [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate (CID 10353352) is [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate.
What is the SMILES notation for [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The canonical SMILES for [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate is CC(=O)O[C@H]1CCCC[C@@H]1[Si](C)(C)F.
What is the InChIKey of [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
The InChIKey is KLEPAAHLEQYUEE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19FO2Si/c1-8(12)13-9-6-4-5-7-10(9)14(2,3)11/h9-10H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate?
[(1S,2S)-2-[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 [(1S,2S)-2-[fluoro(dimethyl)silyl]cyclohexyl] acetate is sourced from PubChem (CID 10353352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).