1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C15H18F3NO — CID 11323608

IUPAC1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCOC[C@@H](c1ccccc1)N1CC=CCC1C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-20-11-13(12-7-3-2-4-8-12)19-10-6-5-9-14(19)15(16,17)18/h2-8,13-14H,9-11H2,1H3/t13-,14?/m0/s1
InChIKeyNDKZYWUEOPARJB-LSLKUGRBSA-N
MW285.31 g/mol
LogP3.57
Rot. Bonds4

About 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 11323608) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID11323608
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCOC[C@@H](c1ccccc1)N1CC=CCC1C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-20-11-13(12-7-3-2-4-8-12)19-10-6-5-9-14(19)15(16,17)18/h2-8,13-14H,9-11H2,1H3/t13-,14?/m0/s1
InChIKeyNDKZYWUEOPARJB-LSLKUGRBSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 11323608) is 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine is COC[C@@H](c1ccccc1)N1CC=CCC1C(F)(F)F.
What is the InChIKey of 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NDKZYWUEOPARJB-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-20-11-13(12-7-3-2-4-8-12)19-10-6-5-9-14(19)15(16,17)18/h2-8,13-14H,9-11H2,1H3/t13-,14?/m0/s1.
What are the key properties of 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 285.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11323608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).