3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine

C20H16F3NO — CID 118735178

IUPAC3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)17-8-9-18(16-7-4-11-24-14-16)19(13-17)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyPBAJHLVQKDGFHP-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.39
Rot. Bonds5

About 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine

3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 118735178) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
PubChem CID118735178
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16F3NO/c21-20(22,23)17-8-9-18(16-7-4-11-24-14-16)19(13-17)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2
InChIKeyPBAJHLVQKDGFHP-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

Analyze 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine (CID 118735178) is 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PBAJHLVQKDGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c21-20(22,23)17-8-9-18(16-7-4-11-24-14-16)19(13-17)25-12-10-15-5-2-1-3-6-15/h1-9,11,13-14H,10,12H2.
What are the key properties of 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine?
3-[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 3-[2-(2-phenylethoxy)-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118735178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).