4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine

C20H16F3NO — CID 118735179

IUPAC4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)17-6-7-18(16-8-11-24-12-9-16)19(14-17)25-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyMZWHNGPXADHQGB-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.39
Rot. Bonds5

About 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine

4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 118735179) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
PubChem CID118735179
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)17-6-7-18(16-8-11-24-12-9-16)19(14-17)25-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyMZWHNGPXADHQGB-UHFFFAOYSA-N
XLogP5.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine (CID 118735179) is 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2ccncc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is MZWHNGPXADHQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c21-20(22,23)17-6-7-18(16-8-11-24-12-9-16)19(14-17)25-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2.
What are the key properties of 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 343.35 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118735179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).