(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol

C17H27F3O2Si — CID 58488317

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H27F3O2Si/c1-12(11-21)15(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15,21H,11H2,1-6H3/t12-,15-/m1/s1
InChIKeyIUNJUHWEAUSFBV-IUODEOHRSA-N
MW348.48 g/mol
LogP5.40
Rot. Bonds5

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 58488317) has the molecular formula C17H27F3O2Si and a molecular weight of 348.48 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID58488317
Molecular FormulaC17H27F3O2Si
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESC[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H27F3O2Si/c1-12(11-21)15(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15,21H,11H2,1-6H3/t12-,15-/m1/s1
InChIKeyIUNJUHWEAUSFBV-IUODEOHRSA-N
XLogP5.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Isobutylphenyl)ethanol
CID 181654
1,3-Butanediol, 1,1'-(p-phenylene)bis(4,4,4-trifluoro-3-(trifluoromethyl)-
CID 58141
1-[4-(Trifluoromethyl)phenyl]ethan-1-ol
CID 137186
(1R)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2779042
1-[4-(Trifluoromethyl)phenyl]propan-1-ol
CID 5314415
4-Methyl-alpha-(trifluoromethyl)benzenemethanol
CID 347204
1-(2-Fluoro-4-(trifluoromethyl)phenyl)-2-methylpropan-1-ol
CID 66884547
1-(2-Fluoro-4-(trifluoromethyl)phenyl)propan-1-ol
CID 122549955
1,3-Butanediol, 2-octyl-4,4,4-trifluoro-3-trifluoromethyl-
CID 294132
1,1,1,3,3,3-Hexafluoro-2-[4-[1-hydroxyethyl(dimethyl)silyl]phenyl]propan-2-ol
CID 168284921
1,1,1,3,3,3-Hexafluoro-2-[4-[2-hydroxyethyl(dimethyl)silyl]phenyl]propan-2-ol
CID 168288068
1,1,1,3,3,3-Hexafluoro-2-[4-[3-hydroxypropyl(dimethyl)silyl]phenyl]propan-2-ol
CID 168289062

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 58488317) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol is C[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is IUNJUHWEAUSFBV-IUODEOHRSA-N. The full InChI is InChI=1S/C17H27F3O2Si/c1-12(11-21)15(22-23(5,6)16(2,3)4)13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15,21H,11H2,1-6H3/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 348.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 58488317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).