3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol

C13H23FO2SSi — CID 170902826

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(CO)c1cc(F)cs1
InChIInChI=1S/C13H23FO2SSi/c1-13(2,3)18(4,5)16-8-10(7-15)12-6-11(14)9-17-12/h6,9-10,15H,7-8H2,1-5H3
InChIKeySWUXWPPZTCUSLK-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.98
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol (PubChem CID 170902826) 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-(4-fluorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol
PubChem CID170902826
Molecular FormulaC13H23FO2SSi
Molecular Weight290.48 g/mol
Exact Mass290.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(CO)c1cc(F)cs1
InChIInChI=1S/C13H23FO2SSi/c1-13(2,3)18(4,5)16-8-10(7-15)12-6-11(14)9-17-12/h6,9-10,15H,7-8H2,1-5H3
InChIKeySWUXWPPZTCUSLK-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
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

(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]ethyl]carbamic acid
CID 174107527
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine
CID 53427177
(2S)-2-(5-bromo-2-fluorophenoxy)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 172790117
3-[tert-butyl(dimethyl)silyl]oxy-1-(2,4-difluorophenyl)propan-1-amine
CID 77463781
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-amine;hydrochloride
CID 50999200
(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
CID 146156914

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol (CID 170902826) is 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol is CC(C)(C)[Si](C)(C)OCC(CO)c1cc(F)cs1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol?
The InChIKey is SWUXWPPZTCUSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2SSi/c1-13(2,3)18(4,5)16-8-10(7-15)12-6-11(14)9-17-12/h6,9-10,15H,7-8H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorothiophen-2-yl)propan-1-ol has a molecular weight of 290.48 g/mol, XLogP of 3.98, 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-(4-fluorothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 170902826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).