3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol

C13H23FO2SSi — CID 102119549

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(F)(CO)c1ccsc1
InChIInChI=1S/C13H23FO2SSi/c1-12(2,3)18(4,5)16-10-13(14,9-15)11-6-7-17-8-11/h6-8,15H,9-10H2,1-5H3
InChIKeyRSLCCVJBEDRLDM-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.93
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol (PubChem CID 102119549) has the molecular formula C13H23FO2SSi and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol
PubChem CID102119549
Molecular FormulaC13H23FO2SSi
Molecular Weight290.48 g/mol
Exact Mass290.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(F)(CO)c1ccsc1
InChIInChI=1S/C13H23FO2SSi/c1-12(2,3)18(4,5)16-10-13(14,9-15)11-6-7-17-8-11/h6-8,15H,9-10H2,1-5H3
InChIKeyRSLCCVJBEDRLDM-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyldimethyl(2-(thiophen-3-yl)ethoxy)silane
CID 57989036
3-((tert-Butyldimethylsilyl)oxy)-2-(4-fluorothiophen-2-yl)propan-1-ol
CID 170902826
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol
CID 174223612
2-(Thiophen-3-yl)propan-1-ol
CID 21835189
3-[2-(Trimethylsilyloxy)ethyl]thiophene
CID 86181772
Tri(propan-2-yl)-(2-thiophen-3-ylethoxy)silane
CID 134843374
(2R)-2-methyl-2-thiophen-3-ylbut-3-en-1-ol
CID 134956780
(2R)-2-thiophen-3-ylbut-3-en-1-ol
CID 134968085
2-Methyl-2-(thiophen-3-yl)propane-1,3-diol
CID 166174420
2-Fluoro-2-thiophen-3-ylpropane-1,3-diol
CID 100969557
(2-Fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate
CID 100969563
Butyl-dimethyl-(2-thiophen-3-ylethoxy)silane
CID 66964087

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol (CID 102119549) is 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol is CC(C)(C)[Si](C)(C)OCC(F)(CO)c1ccsc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol?
The InChIKey is RSLCCVJBEDRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2SSi/c1-12(2,3)18(4,5)16-10-13(14,9-15)11-6-7-17-8-11/h6-8,15H,9-10H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol has a molecular weight of 290.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 102119549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).