[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol

C12H19F3O2SSi — CID 66642495

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)sc1CO
InChIInChI=1S/C12H19F3O2SSi/c1-11(2,3)19(4,5)17-8-6-10(12(13,14)15)18-9(8)7-16/h6,16H,7H2,1-5H3
InChIKeyPHNMXRKPVBQLAA-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.64
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol

[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol (PubChem CID 66642495) has the molecular formula C12H19F3O2SSi and a molecular weight of 312.43 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol
PubChem CID66642495
Molecular FormulaC12H19F3O2SSi
Molecular Weight312.43 g/mol
Exact Mass312.08
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)sc1CO
InChIInChI=1S/C12H19F3O2SSi/c1-11(2,3)19(4,5)17-8-6-10(12(13,14)15)18-9(8)7-16/h6,16H,7H2,1-5H3
InChIKeyPHNMXRKPVBQLAA-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.64
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

[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]methanol
CID 139943085
[2-bromo-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanol
CID 169448639
4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(trifluoromethyl)aniline
CID 169435458
[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 176638011
4-[tert-butyl(dimethyl)silyl]oxy-3-(trifluoromethyl)aniline
CID 167742653
2-(bromomethyl)-3-methyl-5-(trifluoromethyl)thiophene
CID 155858670
propyl 3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]benzoate
CID 91742551
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 123547238
2-methyl-5-(trifluoromethyl)thiophen-3-ol
CID 67949228
tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol (CID 66642495) is [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol is CC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)sc1CO.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol?
The InChIKey is PHNMXRKPVBQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2SSi/c1-11(2,3)19(4,5)17-8-6-10(12(13,14)15)18-9(8)7-16/h6,16H,7H2,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol?
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)thiophen-2-yl]methanol has a molecular weight of 312.43 g/mol, XLogP of 4.64, 3 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-5-(trifluoromethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 66642495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).