cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate

C19H26FNOSSi — CID 90864086

IUPACcyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate
SMILESC[Si](C)(C)SC#C/C(=N\c1cccc(F)c1)OCC1CCCCC1
InChIInChI=1S/C19H26FNOSSi/c1-24(2,3)23-13-12-19(21-18-11-7-10-17(20)14-18)22-15-16-8-5-4-6-9-16/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3/b21-19+
InChIKeySBYKIARVFDLHOC-XUTLUUPISA-N
MW363.57 g/mol
LogP5.98
Rot. Bonds4

About cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate

cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate (PubChem CID 90864086) has the molecular formula C19H26FNOSSi and a molecular weight of 363.57 g/mol. Its IUPAC name is cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate.

Molecular Properties

Compound Namecyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate
PubChem CID90864086
Molecular FormulaC19H26FNOSSi
Molecular Weight363.57 g/mol
Exact Mass363.15
IUPAC Namecyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate
SMILESC[Si](C)(C)SC#C/C(=N\c1cccc(F)c1)OCC1CCCCC1
InChIInChI=1S/C19H26FNOSSi/c1-24(2,3)23-13-12-19(21-18-11-7-10-17(20)14-18)22-15-16-8-5-4-6-9-16/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3/b21-19+
InChIKeySBYKIARVFDLHOC-XUTLUUPISA-N
XLogP5.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl N-(3-chlorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate
CID 90897562
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CID 60731171
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
cyclohexylmethyl 3,3-bis[(3-fluorophenyl)sulfanyl]-N-phenylsulfanylpropanimidate
CID 173087044
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
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1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
cyclohexylmethyl N-(4-methoxyphenyl)-3-trimethylsilylsulfanylpropanimidate
CID 68525519
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate?
The IUPAC name of cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate (CID 90864086) is cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate.
What is the SMILES notation for cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate?
The canonical SMILES for cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate is C[Si](C)(C)SC#C/C(=N\c1cccc(F)c1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate?
The InChIKey is SBYKIARVFDLHOC-XUTLUUPISA-N. The full InChI is InChI=1S/C19H26FNOSSi/c1-24(2,3)23-13-12-19(21-18-11-7-10-17(20)14-18)22-15-16-8-5-4-6-9-16/h7,10-11,14,16H,4-6,8-9,15H2,1-3H3/b21-19+.
What are the key properties of cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate?
cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate has a molecular weight of 363.57 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(3-fluorophenyl)-3-trimethylsilylsulfanylprop-2-ynimidate is sourced from PubChem (CID 90864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).