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

C26H28F4O2Si — CID 135002803

IUPAC(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F4O2Si/c1-25(2,3)33(21-10-6-4-7-11-21,22-12-8-5-9-13-22)32-18-23(31)24(27)19-14-16-20(17-15-19)26(28,29)30/h4-17,23-24,31H,18H2,1-3H3/t23-,24-/m1/s1
InChIKeyCPWTUZYCDIYYCX-DNQXCXABSA-N
MW476.59 g/mol
LogP5.65
Rot. Bonds7

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

(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 135002803) has the molecular formula C26H28F4O2Si and a molecular weight of 476.59 g/mol. Its IUPAC name is (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID135002803
Molecular FormulaC26H28F4O2Si
Molecular Weight476.59 g/mol
Exact Mass476.18
IUPAC Name(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F4O2Si/c1-25(2,3)33(21-10-6-4-7-11-21,22-12-8-5-9-13-22)32-18-23(31)24(27)19-14-16-20(17-15-19)26(28,29)30/h4-17,23-24,31H,18H2,1-3H3/t23-,24-/m1/s1
InChIKeyCPWTUZYCDIYYCX-DNQXCXABSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 55.65
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-Benzyl-phenyl)-1,1-difluoro-4-phenethyl-hex-5-en-2-ol
CID 44287385
(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-phenylbut-2-en-1-ol
CID 101266501
(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
CID 135004524
(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
CID 135005075
(1S,2R,3Z,5E)-7-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[4-(trifluoromethyl)phenyl]hepta-3,5-dien-1-ol
CID 155932824
(1S,2R)-1-[tert-butyl(diphenyl)silyl]-1-phenylhexan-2-ol
CID 11464199
3-[Tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propan-1-ol
CID 15392546
2-(4-Ethenylphenyl)-2-fluoropropan-1-ol;2-(4-ethenylphenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 20220186
6-(t-Butyl-diphenylsilyloxy)-1-(2,5-difluorophenyl)-1-hexanol
CID 59750808
7-(t-Butyldiphenylsilyloxy)-1-(2,5-difluorophenyl)-1-heptanol
CID 59750887
2-[Tert-butyl(dimethyl)silyl]oxy-1-[4-(trifluoromethyl)phenyl]ethanol
CID 66924440
1-(4'-Trifluoromethyl-biphenyl-4-yl)-butan-2-ol
CID 67342162

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 135002803) is (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol is CC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is CPWTUZYCDIYYCX-DNQXCXABSA-N. The full InChI is InChI=1S/C26H28F4O2Si/c1-25(2,3)33(21-10-6-4-7-11-21,22-12-8-5-9-13-22)32-18-23(31)24(27)19-14-16-20(17-15-19)26(28,29)30/h4-17,23-24,31H,18H2,1-3H3/t23-,24-/m1/s1.
What are the key properties of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 476.59 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 135002803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).