3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine

C9H12F3N — CID 90820070

IUPAC3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1C=C(C)C(C(F)(F)F)=NC1
InChIInChI=1S/C9H12F3N/c1-3-7-4-6(2)8(13-5-7)9(10,11)12/h4,7H,3,5H2,1-2H3
InChIKeyRYBCJBOUZPFJFE-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.98
Rot. Bonds1

About 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine

3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 90820070) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID90820070
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1C=C(C)C(C(F)(F)F)=NC1
InChIInChI=1S/C9H12F3N/c1-3-7-4-6(2)8(13-5-7)9(10,11)12/h4,7H,3,5H2,1-2H3
InChIKeyRYBCJBOUZPFJFE-UHFFFAOYSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 90820070) is 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine is CCC1C=C(C)C(C(F)(F)F)=NC1.
What is the InChIKey of 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is RYBCJBOUZPFJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-7-4-6(2)8(13-5-7)9(10,11)12/h4,7H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine?
3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 191.20 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 90820070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).