[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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Related Compounds

(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
Pytamine
CID 3052768
Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha,3,4-trimethylbenzyl)-, hydrochloride
CID 3057338
6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-5-amine dihydrochloride, (5S,6S,9R)-
CID 139270407
(R)-[4-fluoro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanol
CID 134941450
2,2,2-Trifluoro-1-phenyl-1-(pyridine-2-yl)ethanol
CID 2760796
(5S,6S,9R)-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-ol
CID 57911423
5H-Cyclohepta[b]pyridin-5-amine, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (5S,6S,9R)-
CID 67115863
(5R,6S,9R)-5-chloro-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 67115927
(5S,6S,9R)-5-azido-6-(2,3-difluorophenyl)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 71533837
2-(2,2,2-Trifluoro-1-(trifluoromethyl)-1-((trimethylsilyl)oxy)ethyl)pyridine
CID 12179444
Pyridin-2-yl(4-(trifluoromethyl)phenyl)methanol
CID 14337982

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).