ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C12H24F3N — CID 156737198

IUPACethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC.CC.CC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h2H,3-6H2,1H3;2*1-2H3
InChIKeyQTZQUFYAHWPMBA-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.25
Rot. Bonds1

About ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 156737198) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID156737198
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Nameethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC.CC.CC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h2H,3-6H2,1H3;2*1-2H3
InChIKeyQTZQUFYAHWPMBA-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.25
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 ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 156737198) is ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC.CC.CC1=CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is QTZQUFYAHWPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h2H,3-6H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 239.32 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 156737198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).