[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol

C12H20F3NO2Si — CID 140747701

IUPAC[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C12H20F3NO2Si/c1-19(2,3)5-4-18-9-16-6-10(8-17)11(7-16)12(13,14)15/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyQLARODCZTMZMNQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.31
Rot. Bonds6

About [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol

[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol (PubChem CID 140747701) has the molecular formula C12H20F3NO2Si and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
PubChem CID140747701
Molecular FormulaC12H20F3NO2Si
Molecular Weight295.38 g/mol
Exact Mass295.12
IUPAC Name[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
SMILESC[Si](C)(C)CCOCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C12H20F3NO2Si/c1-19(2,3)5-4-18-9-16-6-10(8-17)11(7-16)12(13,14)15/h6-7,17H,4-5,8-9H2,1-3H3
InChIKeyQLARODCZTMZMNQ-UHFFFAOYSA-N
XLogP3.31
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol (CID 140747701) is [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol is C[Si](C)(C)CCOCn1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol?
The InChIKey is QLARODCZTMZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2Si/c1-19(2,3)5-4-18-9-16-6-10(8-17)11(7-16)12(13,14)15/h6-7,17H,4-5,8-9H2,1-3H3.
What are the key properties of [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol?
[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol has a molecular weight of 295.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 140747701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).