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

C17H20F3NO2 — CID 15192597

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1ccc(C2=CCN(CCC3OCCO3)CC2)cc1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-21(9-6-14)10-7-16-22-11-12-23-16/h1-5,16H,6-12H2
InChIKeyFDSVJNZTWWAEKT-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.56
Rot. Bonds4

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

1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (PubChem CID 15192597) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
PubChem CID15192597
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)c1ccc(C2=CCN(CCC3OCCO3)CC2)cc1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-21(9-6-14)10-7-16-22-11-12-23-16/h1-5,16H,6-12H2
InChIKeyFDSVJNZTWWAEKT-UHFFFAOYSA-N
XLogP3.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-{[4-(Trifluoromethyl)phenyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 11959667
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 15192595
8-(2,2,2-Trifluoro-1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 53619112
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 54101196
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 54342533
8-[(4-Ethylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78992347
8-[3-(Trifluoromethyl)benzyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6468839
8-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 10540493
(E)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 32304894
8-[1-[4-(Trifluoromethyl)phenyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53548338
4-(1,3-Dioxolan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 56335214

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine (CID 15192597) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is FC(F)(F)c1ccc(C2=CCN(CCC3OCCO3)CC2)cc1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
The InChIKey is FDSVJNZTWWAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)15-3-1-13(2-4-15)14-5-8-21(9-6-14)10-7-16-22-11-12-23-16/h1-5,16H,6-12H2.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine?
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine has a molecular weight of 327.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15192597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).