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

C8H10F3N — CID 70307572

IUPAC4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C8H10F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h5H,2-4H2,1H3
InChIKeyAQAFTQWRHPUNCS-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds1

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

4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 70307572) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID70307572
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1=CC(C(F)(F)F)=NCC1
InChIInChI=1S/C8H10F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h5H,2-4H2,1H3
InChIKeyAQAFTQWRHPUNCS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 70307572) is 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCC1=CC(C(F)(F)F)=NCC1.
What is the InChIKey of 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is AQAFTQWRHPUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine?
4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 177.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 70307572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).