tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane

C16H27FO2Si — CID 140735332

IUPACtert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CF)COCc1ccccc1
InChIInChI=1S/C16H27FO2Si/c1-16(2,3)20(4,5)19-15(11-17)13-18-12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m1/s1
InChIKeyFGTZDBUOCMYYOR-OAHLLOKOSA-N
MW298.47 g/mol
LogP4.56
Rot. Bonds7

About tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane (PubChem CID 140735332) has the molecular formula C16H27FO2Si and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
PubChem CID140735332
Molecular FormulaC16H27FO2Si
Molecular Weight298.47 g/mol
Exact Mass298.18
IUPAC Nametert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CF)COCc1ccccc1
InChIInChI=1S/C16H27FO2Si/c1-16(2,3)20(4,5)19-15(11-17)13-18-12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m1/s1
InChIKeyFGTZDBUOCMYYOR-OAHLLOKOSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.56
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

4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
CID 11228048
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexanoic acid
CID 141260079
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane (CID 140735332) is tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](CF)COCc1ccccc1.
What is the InChIKey of tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is FGTZDBUOCMYYOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27FO2Si/c1-16(2,3)20(4,5)19-15(11-17)13-18-12-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3/t15-/m1/s1.
What are the key properties of tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 298.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 140735332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).