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

C20H28F3N — CID 174371551

IUPAC1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CCC
InChIInChI=1S/C20H28F3N/c1-3-5-17-8-7-16(15-18(17)6-4-2)9-12-24-13-10-19(11-14-24)20(21,22)23/h7-8,10,15H,3-6,9,11-14H2,1-2H3
InChIKeyHKQRQBKBZNVXTG-UHFFFAOYSA-N
MW339.45 g/mol
LogP5.33
Rot. Bonds7

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

1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 174371551) has the molecular formula C20H28F3N and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID174371551
Molecular FormulaC20H28F3N
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CCC
InChIInChI=1S/C20H28F3N/c1-3-5-17-8-7-16(15-18(17)6-4-2)9-12-24-13-10-19(11-14-24)20(21,22)23/h7-8,10,15H,3-6,9,11-14H2,1-2H3
InChIKeyHKQRQBKBZNVXTG-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 55.33
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-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 174371551) is 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCCc1ccc(CCN2CC=C(C(F)(F)F)CC2)cc1CCC.
What is the InChIKey of 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HKQRQBKBZNVXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N/c1-3-5-17-8-7-16(15-18(17)6-4-2)9-12-24-13-10-19(11-14-24)20(21,22)23/h7-8,10,15H,3-6,9,11-14H2,1-2H3.
What are the key properties of 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 339.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dipropylphenyl)ethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174371551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).