tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane

C19H24F3NO2Si — CID 141341558

IUPACtert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccc(F)c(-c2ncccc2F)c1F
InChIInChI=1S/C19H24F3NO2Si/c1-19(2,3)26(4,5)25-12-11-24-15-9-8-13(20)16(17(15)22)18-14(21)7-6-10-23-18/h6-10H,11-12H2,1-5H3
InChIKeyRMDSOOSZFBLZQK-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.57
Rot. Bonds6

About tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane

tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane (PubChem CID 141341558) has the molecular formula C19H24F3NO2Si and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
PubChem CID141341558
Molecular FormulaC19H24F3NO2Si
Molecular Weight383.49 g/mol
Exact Mass383.15
IUPAC Nametert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1ccc(F)c(-c2ncccc2F)c1F
InChIInChI=1S/C19H24F3NO2Si/c1-19(2,3)26(4,5)25-12-11-24-15-9-8-13(20)16(17(15)22)18-14(21)7-6-10-23-18/h6-10H,11-12H2,1-5H3
InChIKeyRMDSOOSZFBLZQK-UHFFFAOYSA-N
XLogP5.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
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 tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane (CID 141341558) is tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1ccc(F)c(-c2ncccc2F)c1F.
What is the InChIKey of tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The InChIKey is RMDSOOSZFBLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2Si/c1-19(2,3)26(4,5)25-12-11-24-15-9-8-13(20)16(17(15)22)18-14(21)7-6-10-23-18/h6-10H,11-12H2,1-5H3.
What are the key properties of tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane has a molecular weight of 383.49 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 141341558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).