6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine

C9H12F3NO — CID 146538348

IUPAC6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
SMILESCCC1=CC=C(OCC(F)(F)F)CN1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-4-8(5-13-7)14-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3
InChIKeyIHEBBMFAZCWBTL-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.35
Rot. Bonds3

About 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine

6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine (PubChem CID 146538348) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
PubChem CID146538348
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine
SMILESCCC1=CC=C(OCC(F)(F)F)CN1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-4-8(5-13-7)14-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3
InChIKeyIHEBBMFAZCWBTL-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The IUPAC name of 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine (CID 146538348) is 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine.
What is the SMILES notation for 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The canonical SMILES for 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine is CCC1=CC=C(OCC(F)(F)F)CN1.
What is the InChIKey of 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
The InChIKey is IHEBBMFAZCWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-7-3-4-8(5-13-7)14-6-9(10,11)12/h3-4,13H,2,5-6H2,1H3.
What are the key properties of 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine?
6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine has a molecular weight of 207.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2,2,2-trifluoroethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 146538348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).