[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane

C21H32F3NOSi — CID 123358299

IUPAC[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane
SMILESC=C[SiH](C)CCCCC(c1ccc(C(F)(F)F)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C21H32F3NOSi/c1-5-27(4)13-7-6-8-20(25-14-16(2)26-17(3)15-25)18-9-11-19(12-10-18)21(22,23)24/h5,9-12,16-17,20,27H,1,6-8,13-15H2,2-4H3
InChIKeyLEZZEYRRNZRMRA-UHFFFAOYSA-N
MW399.57 g/mol
LogP5.61
Rot. Bonds8

About [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane

[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane (PubChem CID 123358299) has the molecular formula C21H32F3NOSi and a molecular weight of 399.57 g/mol. Its IUPAC name is [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane.

Molecular Properties

Compound Name[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane
PubChem CID123358299
Molecular FormulaC21H32F3NOSi
Molecular Weight399.57 g/mol
Exact Mass399.22
IUPAC Name[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane
SMILESC=C[SiH](C)CCCCC(c1ccc(C(F)(F)F)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C21H32F3NOSi/c1-5-27(4)13-7-6-8-20(25-14-16(2)26-17(3)15-25)18-9-11-19(12-10-18)21(22,23)24/h5,9-12,16-17,20,27H,1,6-8,13-15H2,2-4H3
InChIKeyLEZZEYRRNZRMRA-UHFFFAOYSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.57
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane
CID 13292188
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
N,N-Dimethyl-I(3)-[4-(trifluoromethyl)phenyl]-4-morpholinepropanamine
CID 118714025
2,6-Dimethyl-4-[4-(trifluoromethyl)benzyl]morpholine
CID 45927286
4-[(E,1R)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
CID 101499208
4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
CID 101843206
4-[(E,1S)-4,4,4-trifluoro-1-phenylbut-2-enyl]morpholine
CID 102042754
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
3-[(2R,4R,5R)-3-benzyl-4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
CID 134952000
4-[3-Phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-ynyl]morpholine
CID 134955186
tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane
CID 135000053
(E,1S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 135001042

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane?
The IUPAC name of [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane (CID 123358299) is [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane.
What is the SMILES notation for [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane?
The canonical SMILES for [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane is C=C[SiH](C)CCCCC(c1ccc(C(F)(F)F)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane?
The InChIKey is LEZZEYRRNZRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3NOSi/c1-5-27(4)13-7-6-8-20(25-14-16(2)26-17(3)15-25)18-9-11-19(12-10-18)21(22,23)24/h5,9-12,16-17,20,27H,1,6-8,13-15H2,2-4H3.
What are the key properties of [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane?
[5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane has a molecular weight of 399.57 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dimethylmorpholin-4-yl)-5-[4-(trifluoromethyl)phenyl]pentyl]-ethenyl-methylsilane is sourced from PubChem (CID 123358299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).