(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol

C25H29FO2Si — CID 135004524

IUPAC(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FO2Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(27)24(26)20-13-7-4-8-14-20/h4-18,23-24,27H,19H2,1-3H3/t23-,24-/m1/s1
InChIKeyLJGLXNOUTGOHMI-DNQXCXABSA-N
MW408.59 g/mol
LogP4.63
Rot. Bonds7

About (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol

(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol (PubChem CID 135004524) has the molecular formula C25H29FO2Si and a molecular weight of 408.59 g/mol. Its IUPAC name is (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
PubChem CID135004524
Molecular FormulaC25H29FO2Si
Molecular Weight408.59 g/mol
Exact Mass408.19
IUPAC Name(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29FO2Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(27)24(26)20-13-7-4-8-14-20/h4-18,23-24,27H,19H2,1-3H3/t23-,24-/m1/s1
InChIKeyLJGLXNOUTGOHMI-DNQXCXABSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The IUPAC name of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol (CID 135004524) is (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol is CC(C)(C)[Si](OC[C@@H](O)[C@H](F)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The InChIKey is LJGLXNOUTGOHMI-DNQXCXABSA-N. The full InChI is InChI=1S/C25H29FO2Si/c1-25(2,3)29(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23(27)24(26)20-13-7-4-8-14-20/h4-18,23-24,27H,19H2,1-3H3/t23-,24-/m1/s1.
What are the key properties of (1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol has a molecular weight of 408.59 g/mol, XLogP of 4.63, 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-phenylpropan-2-ol is sourced from PubChem (CID 135004524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).