[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane

C20H18F6N2OSi — CID 23256517

IUPAC[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1
InChIInChI=1S/C20H18F6N2OSi/c1-30(2,3)18(14-9-4-5-10-27-14)29-15-11-16(20(24,25)26)28-17-12(15)7-6-8-13(17)19(21,22)23/h4-11,18H,1-3H3
InChIKeyIRVTVPCRSBFFHG-UHFFFAOYSA-N
MW444.45 g/mol
LogP6.66
Rot. Bonds4

About [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane

[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane (PubChem CID 23256517) has the molecular formula C20H18F6N2OSi and a molecular weight of 444.45 g/mol. Its IUPAC name is [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane
PubChem CID23256517
Molecular FormulaC20H18F6N2OSi
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC Name[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1
InChIInChI=1S/C20H18F6N2OSi/c1-30(2,3)18(14-9-4-5-10-27-14)29-15-11-16(20(24,25)26)28-17-12(15)7-6-8-13(17)19(21,22)23/h4-11,18H,1-3H3
InChIKeyIRVTVPCRSBFFHG-UHFFFAOYSA-N
XLogP6.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 56.66
H-Bond Donors ≤ 50
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 [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane?
The IUPAC name of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane (CID 23256517) is [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane.
What is the SMILES notation for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane?
The canonical SMILES for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane is C[Si](C)(C)C(Oc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccccn1.
What is the InChIKey of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane?
The InChIKey is IRVTVPCRSBFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2OSi/c1-30(2,3)18(14-9-4-5-10-27-14)29-15-11-16(20(24,25)26)28-17-12(15)7-6-8-13(17)19(21,22)23/h4-11,18H,1-3H3.
What are the key properties of [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane?
[[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane has a molecular weight of 444.45 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,8-bis(trifluoromethyl)quinolin-4-yl]oxy-pyridin-2-ylmethyl]-trimethylsilane is sourced from PubChem (CID 23256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).