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

C18H16F3N — CID 18379616

IUPAC4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cc(C2=CCNCC2)ccc1-c1ccccc1
InChIInChI=1S/C18H16F3N/c19-18(20,21)17-12-15(13-8-10-22-11-9-13)6-7-16(17)14-4-2-1-3-5-14/h1-8,12,22H,9-11H2
InChIKeyIRHOLFFKNIBIOO-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.75
Rot. Bonds2

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

4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 18379616) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID18379616
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)c1cc(C2=CCNCC2)ccc1-c1ccccc1
InChIInChI=1S/C18H16F3N/c19-18(20,21)17-12-15(13-8-10-22-11-9-13)6-7-16(17)14-4-2-1-3-5-14/h1-8,12,22H,9-11H2
InChIKeyIRHOLFFKNIBIOO-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine (CID 18379616) is 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine is FC(F)(F)c1cc(C2=CCNCC2)ccc1-c1ccccc1.
What is the InChIKey of 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is IRHOLFFKNIBIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N/c19-18(20,21)17-12-15(13-8-10-22-11-9-13)6-7-16(17)14-4-2-1-3-5-14/h1-8,12,22H,9-11H2.
What are the key properties of 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 303.33 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 18379616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).