[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

C20H23F6NOSi — CID 131748828

IUPAC[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cn1
InChIInChI=1S/C20H23F6NOSi/c1-18(2,3)29(4,5)28-12-14-10-9-13(11-27-14)17-15(19(21,22)23)7-6-8-16(17)20(24,25)26/h6-11H,12H2,1-5H3
InChIKeyQFYPGWYEPXDWQO-UHFFFAOYSA-N
MW435.48 g/mol
LogP7.31
Rot. Bonds4

About [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 131748828) has the molecular formula C20H23F6NOSi and a molecular weight of 435.48 g/mol. Its IUPAC name is [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
PubChem CID131748828
Molecular FormulaC20H23F6NOSi
Molecular Weight435.48 g/mol
Exact Mass435.15
IUPAC Name[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cn1
InChIInChI=1S/C20H23F6NOSi/c1-18(2,3)29(4,5)28-12-14-10-9-13(11-27-14)17-15(19(21,22)23)7-6-8-16(17)20(24,25)26/h6-11H,12H2,1-5H3
InChIKeyQFYPGWYEPXDWQO-UHFFFAOYSA-N
XLogP7.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 57.31
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-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 131748828) is [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cn1.
What is the InChIKey of [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QFYPGWYEPXDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6NOSi/c1-18(2,3)29(4,5)28-12-14-10-9-13(11-27-14)17-15(19(21,22)23)7-6-8-16(17)20(24,25)26/h6-11H,12H2,1-5H3.
What are the key properties of [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
[5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 435.48 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,6-bis(trifluoromethyl)phenyl]-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 131748828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).