1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C18H24F3N — CID 174403043

IUPAC1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CC
InChIInChI=1S/C18H24F3N/c1-3-15-6-5-14(13-16(15)4-2)7-10-22-11-8-17(9-12-22)18(19,20)21/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeyKVAXPWHERJVKCI-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.55
Rot. Bonds5

About 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 174403043) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID174403043
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CC
InChIInChI=1S/C18H24F3N/c1-3-15-6-5-14(13-16(15)4-2)7-10-22-11-8-17(9-12-22)18(19,20)21/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeyKVAXPWHERJVKCI-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.55
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 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 174403043) is 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CC.
What is the InChIKey of 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KVAXPWHERJVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N/c1-3-15-6-5-14(13-16(15)4-2)7-10-22-11-8-17(9-12-22)18(19,20)21/h5-6,8,13H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 311.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-diethylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174403043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).