2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C33H28F3NO2 — CID 15486203

IUPAC2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(N1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=CCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H28F3NO2/c34-33(35,36)31(38)37-29(22-13-23-30(37)25-14-5-1-6-15-25)24-39-32(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,29-30H,23-24H2
InChIKeyVWMBAOLEGGZEIF-UHFFFAOYSA-N
MW527.59 g/mol
LogP7.46
Rot. Bonds7

About 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 15486203) has the molecular formula C33H28F3NO2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID15486203
Molecular FormulaC33H28F3NO2
Molecular Weight527.59 g/mol
Exact Mass527.21
IUPAC Name2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(N1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=CCC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C33H28F3NO2/c34-33(35,36)31(38)37-29(22-13-23-30(37)25-14-5-1-6-15-25)24-39-32(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,29-30H,23-24H2
InChIKeyVWMBAOLEGGZEIF-UHFFFAOYSA-N
XLogP7.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 15486203) is 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(N1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C=CCC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is VWMBAOLEGGZEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F3NO2/c34-33(35,36)31(38)37-29(22-13-23-30(37)25-14-5-1-6-15-25)24-39-32(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-22,29-30H,23-24H2.
What are the key properties of 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 527.59 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-phenyl-6-(trityloxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 15486203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).