[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane

C12H17F3O2Si — CID 121001825

IUPAC[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
SMILESCOc1ccc(OCC(F)(F)F)c([Si](C)(C)C)c1
InChIInChI=1S/C12H17F3O2Si/c1-16-9-5-6-10(17-8-12(13,14)15)11(7-9)18(2,3)4/h5-7H,8H2,1-4H3
InChIKeySCEKCWGRWVOCGQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.18
Rot. Bonds4

About [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane

[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane (PubChem CID 121001825) has the molecular formula C12H17F3O2Si and a molecular weight of 278.35 g/mol. Its IUPAC name is [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
PubChem CID121001825
Molecular FormulaC12H17F3O2Si
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane
SMILESCOc1ccc(OCC(F)(F)F)c([Si](C)(C)C)c1
InChIInChI=1S/C12H17F3O2Si/c1-16-9-5-6-10(17-8-12(13,14)15)11(7-9)18(2,3)4/h5-7H,8H2,1-4H3
InChIKeySCEKCWGRWVOCGQ-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane?
The IUPAC name of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane (CID 121001825) is [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane.
What is the SMILES notation for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane?
The canonical SMILES for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane is COc1ccc(OCC(F)(F)F)c([Si](C)(C)C)c1.
What is the InChIKey of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane?
The InChIKey is SCEKCWGRWVOCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2Si/c1-16-9-5-6-10(17-8-12(13,14)15)11(7-9)18(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane?
[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane has a molecular weight of 278.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-trimethylsilane is sourced from PubChem (CID 121001825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).