4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine

C12H10F3N — CID 68801847

IUPAC4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine
SMILESFC(F)(F)c1ccccc1C1=CCN=CC1
InChIInChI=1S/C12H10F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-5,8H,6-7H2
InChIKeyZFKYOYWRQQVERZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.56
Rot. Bonds1

About 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine

4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine (PubChem CID 68801847) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine
PubChem CID68801847
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine
SMILESFC(F)(F)c1ccccc1C1=CCN=CC1
InChIInChI=1S/C12H10F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-5,8H,6-7H2
InChIKeyZFKYOYWRQQVERZ-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine (CID 68801847) is 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine is FC(F)(F)c1ccccc1C1=CCN=CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine?
The InChIKey is ZFKYOYWRQQVERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9/h1-5,8H,6-7H2.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine?
4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine has a molecular weight of 225.21 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyridine is sourced from PubChem (CID 68801847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).