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

C15H25FO2Si — CID 135005075

IUPAC(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C15H25FO2Si/c1-15(2,3)19(4,5)18-11-13(17)14(16)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14-/m1/s1
InChIKeyYDOUKQIVEOLUOI-ZIAGYGMSSA-N
MW284.45 g/mol
LogP4.08
Rot. Bonds5

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

(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol (PubChem CID 135005075) has the molecular formula C15H25FO2Si and a molecular weight of 284.45 g/mol. Its IUPAC name is (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
PubChem CID135005075
Molecular FormulaC15H25FO2Si
Molecular Weight284.45 g/mol
Exact Mass284.16
IUPAC Name(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C15H25FO2Si/c1-15(2,3)19(4,5)18-11-13(17)14(16)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14-/m1/s1
InChIKeyYDOUKQIVEOLUOI-ZIAGYGMSSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.08
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(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The IUPAC name of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol (CID 135005075) is (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol.
What is the SMILES notation for (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The canonical SMILES for (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](F)c1ccccc1.
What is the InChIKey of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
The InChIKey is YDOUKQIVEOLUOI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25FO2Si/c1-15(2,3)19(4,5)18-11-13(17)14(16)12-9-7-6-8-10-12/h6-10,13-14,17H,11H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of (1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol?
(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol has a molecular weight of 284.45 g/mol, XLogP of 4.08, 5 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(dimethyl)silyl]oxy-1-fluoro-1-phenylpropan-2-ol is sourced from PubChem (CID 135005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).