trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane

C12H18F3NOSi — CID 124637255

IUPACtrimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
SMILESCc1ccnc([C@](C)(O[Si](C)(C)C)C(F)(F)F)c1
InChIInChI=1S/C12H18F3NOSi/c1-9-6-7-16-10(8-9)11(2,12(13,14)15)17-18(3,4)5/h6-8H,1-5H3/t11-/m0/s1
InChIKeyILQARIAGCLEPBC-NSHDSACASA-N
MW277.36 g/mol
LogP4.02
Rot. Bonds3

About trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane

trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane (PubChem CID 124637255) has the molecular formula C12H18F3NOSi and a molecular weight of 277.36 g/mol. Its IUPAC name is trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
PubChem CID124637255
Molecular FormulaC12H18F3NOSi
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Nametrimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
SMILESCc1ccnc([C@](C)(O[Si](C)(C)C)C(F)(F)F)c1
InChIInChI=1S/C12H18F3NOSi/c1-9-6-7-16-10(8-9)11(2,12(13,14)15)17-18(3,4)5/h6-8H,1-5H3/t11-/m0/s1
InChIKeyILQARIAGCLEPBC-NSHDSACASA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
CID 23123821
(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
2,2-difluoro-2-(4-methyl-2-pyridinyl)ethanamine
CID 130018780
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
CID 123371699
2-[2,5-dimethyl-5-(oxan-4-yl)hexan-2-yl]-4-methylpyridine
CID 175639028
N-phenyl-4-(1,1,1-trifluoro-2-trimethylsilyloxypropan-2-yl)aniline
CID 71211638
O-(4-methyl-2-pyridinyl)hydroxylamine
CID 79422441
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
CID 142557420
CID 142557420

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane (CID 124637255) is trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane is Cc1ccnc([C@](C)(O[Si](C)(C)C)C(F)(F)F)c1.
What is the InChIKey of trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane?
The InChIKey is ILQARIAGCLEPBC-NSHDSACASA-N. The full InChI is InChI=1S/C12H18F3NOSi/c1-9-6-7-16-10(8-9)11(2,12(13,14)15)17-18(3,4)5/h6-8H,1-5H3/t11-/m0/s1.
What are the key properties of trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane?
trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane has a molecular weight of 277.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane is sourced from PubChem (CID 124637255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).