4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C9H14F3N — CID 91452600

IUPAC4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h3H,2,4-7H2,1H3
InChIKeyGJZKYXUAZJMGSY-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds2

About 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 91452600) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID91452600
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h3H,2,4-7H2,1H3
InChIKeyGJZKYXUAZJMGSY-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 91452600) is 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CCC1=CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is GJZKYXUAZJMGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-2-8-3-5-13(6-4-8)7-9(10,11)12/h3H,2,4-7H2,1H3.
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 193.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 91452600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).