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

C19H18F3N — CID 18379540

IUPAC4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C2=CCNCC2)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N/c1-13-11-15(14-7-9-23-10-8-14)5-6-18(13)16-3-2-4-17(12-16)19(20,21)22/h2-7,11-12,23H,8-10H2,1H3
InChIKeyJVKWFRBNKQVMNT-UHFFFAOYSA-N
MW317.35 g/mol
LogP5.06
Rot. Bonds2

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

4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 18379540) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID18379540
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C2=CCNCC2)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N/c1-13-11-15(14-7-9-23-10-8-14)5-6-18(13)16-3-2-4-17(12-16)19(20,21)22/h2-7,11-12,23H,8-10H2,1H3
InChIKeyJVKWFRBNKQVMNT-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine (CID 18379540) is 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine is Cc1cc(C2=CCNCC2)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is JVKWFRBNKQVMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N/c1-13-11-15(14-7-9-23-10-8-14)5-6-18(13)16-3-2-4-17(12-16)19(20,21)22/h2-7,11-12,23H,8-10H2,1H3.
What are the key properties of 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine?
4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 317.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 18379540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).