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

C12H10ClF3N2 — CID 155539681

IUPAC5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
SMILESNC1CC(C(F)(F)F)=NC=C1c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClF3N2/c13-8-3-1-7(2-4-8)9-6-18-11(5-10(9)17)12(14,15)16/h1-4,6,10H,5,17H2
InChIKeyIDOAPADOJCRFJU-UHFFFAOYSA-N
MW274.67 g/mol
LogP3.42
Rot. Bonds1

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

5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine (PubChem CID 155539681) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
PubChem CID155539681
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
SMILESNC1CC(C(F)(F)F)=NC=C1c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClF3N2/c13-8-3-1-7(2-4-8)9-6-18-11(5-10(9)17)12(14,15)16/h1-4,6,10H,5,17H2
InChIKeyIDOAPADOJCRFJU-UHFFFAOYSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine (CID 155539681) is 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine is NC1CC(C(F)(F)F)=NC=C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
The InChIKey is IDOAPADOJCRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c13-8-3-1-7(2-4-8)9-6-18-11(5-10(9)17)12(14,15)16/h1-4,6,10H,5,17H2.
What are the key properties of 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine?
5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine has a molecular weight of 274.67 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine is sourced from PubChem (CID 155539681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).