2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol

C14H23F2NO2Si — CID 77218290

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)F)nc1
InChIInChI=1S/C14H23F2NO2Si/c1-14(2,3)20(4,5)19-9-12(18)10-6-7-11(13(15)16)17-8-10/h6-8,12-13,18H,9H2,1-5H3
InChIKeyCJVUEPFPBXQFGB-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.07
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol

2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol (PubChem CID 77218290) has the molecular formula C14H23F2NO2Si and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol
PubChem CID77218290
Molecular FormulaC14H23F2NO2Si
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)F)nc1
InChIInChI=1S/C14H23F2NO2Si/c1-14(2,3)20(4,5)19-9-12(18)10-6-7-11(13(15)16)17-8-10/h6-8,12-13,18H,9H2,1-5H3
InChIKeyCJVUEPFPBXQFGB-UHFFFAOYSA-N
XLogP4.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol (CID 77218290) is 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol is CC(C)(C)[Si](C)(C)OCC(O)c1ccc(C(F)F)nc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is CJVUEPFPBXQFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2Si/c1-14(2,3)20(4,5)19-9-12(18)10-6-7-11(13(15)16)17-8-10/h6-8,12-13,18H,9H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol?
2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 303.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-[6-(difluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 77218290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).