2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine

C14H28F3NOSi — CID 11536901

IUPAC2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine
SMILESCC[Si](CC)(CC)OC[C@H](CC(C)C)/N=C/C(F)(F)F
InChIInChI=1S/C14H28F3NOSi/c1-6-20(7-2,8-3)19-10-13(9-12(4)5)18-11-14(15,16)17/h11-13H,6-10H2,1-5H3/b18-11+/t13-/m0/s1
InChIKeyGGEUMBQIDNTYHQ-FHXOWUIVSA-N
MW311.46 g/mol
LogP5.06
Rot. Bonds9

About 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine

2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine (PubChem CID 11536901) has the molecular formula C14H28F3NOSi and a molecular weight of 311.46 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine
PubChem CID11536901
Molecular FormulaC14H28F3NOSi
Molecular Weight311.46 g/mol
Exact Mass311.19
IUPAC Name2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine
SMILESCC[Si](CC)(CC)OC[C@H](CC(C)C)/N=C/C(F)(F)F
InChIInChI=1S/C14H28F3NOSi/c1-6-20(7-2,8-3)19-10-13(9-12(4)5)18-11-14(15,16)17/h11-13H,6-10H2,1-5H3/b18-11+/t13-/m0/s1
InChIKeyGGEUMBQIDNTYHQ-FHXOWUIVSA-N
XLogP5.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.46
LogP ≤ 55.06
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'}

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Related Compounds

2,6-dimethylhept-5-enoxy(triethyl)silane
CID 86242000
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
CID 102263378
triethyl-[(2R)-1-triethylsilyloxybutan-2-yl]oxysilane
CID 11370589
tert-butyl-ethyl-bis(2-methylpropoxy)silane
CID 22242226
2-(triethylsilyloxymethyl)but-3-en-1-ol
CID 86052132
CID 88668128
CID 88668128
ethoxy-ethyl-bis(2-methylpropyl)silane
CID 151175170
ethoxy-diethyl-(2-methylpropyl)silane
CID 87447159
4-(ethoxymethyl)-2-methylhexane
CID 157265485
(E,2R,3S)-2-methyl-1-triethylsilyloxynon-4-en-3-ol
CID 134945880
triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
CID 132934764
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine (CID 11536901) is 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine is CC[Si](CC)(CC)OC[C@H](CC(C)C)/N=C/C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine?
The InChIKey is GGEUMBQIDNTYHQ-FHXOWUIVSA-N. The full InChI is InChI=1S/C14H28F3NOSi/c1-6-20(7-2,8-3)19-10-13(9-12(4)5)18-11-14(15,16)17/h11-13H,6-10H2,1-5H3/b18-11+/t13-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine?
2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine has a molecular weight of 311.46 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-4-methyl-1-triethylsilyloxypentan-2-yl]ethanimine is sourced from PubChem (CID 11536901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).