4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine

C25H22F3NO — CID 10201557

IUPAC4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1ccccc1OCc1cc(-c2ccccc2)ccc1C1=CCNCC1
InChIInChI=1S/C25H22F3NO/c26-25(27,28)23-8-4-5-9-24(23)30-17-21-16-20(18-6-2-1-3-7-18)10-11-22(21)19-12-14-29-15-13-19/h1-12,16,29H,13-15,17H2
InChIKeyQOBLPVFDWJBGGD-UHFFFAOYSA-N
MW409.45 g/mol
LogP6.33
Rot. Bonds5

About 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine

4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 10201557) has the molecular formula C25H22F3NO and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID10201557
Molecular FormulaC25H22F3NO
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1ccccc1OCc1cc(-c2ccccc2)ccc1C1=CCNCC1
InChIInChI=1S/C25H22F3NO/c26-25(27,28)23-8-4-5-9-24(23)30-17-21-16-20(18-6-2-1-3-7-18)10-11-22(21)19-12-14-29-15-13-19/h1-12,16,29H,13-15,17H2
InChIKeyQOBLPVFDWJBGGD-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine (CID 10201557) is 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine is FC(F)(F)c1ccccc1OCc1cc(-c2ccccc2)ccc1C1=CCNCC1.
What is the InChIKey of 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is QOBLPVFDWJBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO/c26-25(27,28)23-8-4-5-9-24(23)30-17-21-16-20(18-6-2-1-3-7-18)10-11-22(21)19-12-14-29-15-13-19/h1-12,16,29H,13-15,17H2.
What are the key properties of 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 409.45 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10201557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).