cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate

C19H28FNSSi — CID 141231418

IUPACcyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate
SMILESC[Si](C)(C)C=C/C(=N/c1ccc(F)cc1)SCC1CCCCC1
InChIInChI=1S/C19H28FNSSi/c1-23(2,3)14-13-19(21-18-11-9-17(20)10-12-18)22-15-16-7-5-4-6-8-16/h9-14,16H,4-8,15H2,1-3H3/b14-13?,21-19-
InChIKeyKAFYOIVHLYCJFO-ZJMNHXKJSA-N
MW349.59 g/mol
LogP6.60
Rot. Bonds5

About cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate

cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate (PubChem CID 141231418) has the molecular formula C19H28FNSSi and a molecular weight of 349.59 g/mol. Its IUPAC name is cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate.

Molecular Properties

Compound Namecyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate
PubChem CID141231418
Molecular FormulaC19H28FNSSi
Molecular Weight349.59 g/mol
Exact Mass349.17
IUPAC Namecyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate
SMILESC[Si](C)(C)C=C/C(=N/c1ccc(F)cc1)SCC1CCCCC1
InChIInChI=1S/C19H28FNSSi/c1-23(2,3)14-13-19(21-18-11-9-17(20)10-12-18)22-15-16-7-5-4-6-8-16/h9-14,16H,4-8,15H2,1-3H3/b14-13?,21-19-
InChIKeyKAFYOIVHLYCJFO-ZJMNHXKJSA-N
XLogP6.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate?
The IUPAC name of cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate (CID 141231418) is cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate.
What is the SMILES notation for cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate?
The canonical SMILES for cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate is C[Si](C)(C)C=C/C(=N/c1ccc(F)cc1)SCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate?
The InChIKey is KAFYOIVHLYCJFO-ZJMNHXKJSA-N. The full InChI is InChI=1S/C19H28FNSSi/c1-23(2,3)14-13-19(21-18-11-9-17(20)10-12-18)22-15-16-7-5-4-6-8-16/h9-14,16H,4-8,15H2,1-3H3/b14-13?,21-19-.
What are the key properties of cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate?
cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate has a molecular weight of 349.59 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(4-fluorophenyl)-3-trimethylsilylprop-2-enimidothioate is sourced from PubChem (CID 141231418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).