6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine

C13H14F3N — CID 175470706

IUPAC6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine
SMILESFC(F)C(F)C1CCC(c2ccccc2)=NC1
InChIInChI=1S/C13H14F3N/c14-12(13(15)16)10-6-7-11(17-8-10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyKKNLCUWRRBNAOZ-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.49
Rot. Bonds3

About 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine

6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 175470706) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine
PubChem CID175470706
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine
SMILESFC(F)C(F)C1CCC(c2ccccc2)=NC1
InChIInChI=1S/C13H14F3N/c14-12(13(15)16)10-6-7-11(17-8-10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChIKeyKKNLCUWRRBNAOZ-UHFFFAOYSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine (CID 175470706) is 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine is FC(F)C(F)C1CCC(c2ccccc2)=NC1.
What is the InChIKey of 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is KKNLCUWRRBNAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-12(13(15)16)10-6-7-11(17-8-10)9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2.
What are the key properties of 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine?
6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 241.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(1,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 175470706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).