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

C8H10F3N — CID 143207610

IUPAC5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C8H10F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3,5,7H,2,4H2,1H3
InChIKeyHOVHSNPNRPIUQC-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.73
Rot. Bonds1

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

5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 143207610) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID143207610
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine
SMILESCCC1=CCC(C(F)(F)F)N=C1
InChIInChI=1S/C8H10F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3,5,7H,2,4H2,1H3
InChIKeyHOVHSNPNRPIUQC-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 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine (CID 143207610) is 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine is CCC1=CCC(C(F)(F)F)N=C1.
What is the InChIKey of 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is HOVHSNPNRPIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c1-2-6-3-4-7(12-5-6)8(9,10)11/h3,5,7H,2,4H2,1H3.
What are the key properties of 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine?
5-ethyl-2-(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 5-ethyl-2-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 143207610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).