5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine

C12H11F3N2 — CID 155555529

IUPAC5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
SMILESNC1CC(C(F)(F)F)=NC=C1c1ccccc1
InChIInChI=1S/C12H11F3N2/c13-12(14,15)11-6-10(16)9(7-17-11)8-4-2-1-3-5-8/h1-5,7,10H,6,16H2
InChIKeyLJPOPTUITOCGRA-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.76
Rot. Bonds1

About 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine

5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine (PubChem CID 155555529) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
PubChem CID155555529
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
SMILESNC1CC(C(F)(F)F)=NC=C1c1ccccc1
InChIInChI=1S/C12H11F3N2/c13-12(14,15)11-6-10(16)9(7-17-11)8-4-2-1-3-5-8/h1-5,7,10H,6,16H2
InChIKeyLJPOPTUITOCGRA-UHFFFAOYSA-N
XLogP2.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The IUPAC name of 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine (CID 155555529) is 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine.
What is the SMILES notation for 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The canonical SMILES for 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine is NC1CC(C(F)(F)F)=NC=C1c1ccccc1.
What is the InChIKey of 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The InChIKey is LJPOPTUITOCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c13-12(14,15)11-6-10(16)9(7-17-11)8-4-2-1-3-5-8/h1-5,7,10H,6,16H2.
What are the key properties of 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine has a molecular weight of 240.23 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine is sourced from PubChem (CID 155555529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).