2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine

C8H10F3N — CID 147011551

IUPAC2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCCC1=NC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5H,2-4H2,1H3
InChIKeyATYOVAITVOHMTG-UHFFFAOYSA-N
MW177.17 g/mol
LogP3.08
Rot. Bonds1

About 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine

2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 147011551) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID147011551
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine
SMILESCCC1=NC(C(F)(F)F)=CCC1
InChIInChI=1S/C8H10F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5H,2-4H2,1H3
InChIKeyATYOVAITVOHMTG-UHFFFAOYSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine (CID 147011551) is 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine is CCC1=NC(C(F)(F)F)=CCC1.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is ATYOVAITVOHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine?
2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 147011551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).