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

C18H22F3NO — CID 165368308

IUPAC1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine
SMILESCCC1C(c2ccccc2)C=C(C(F)(F)F)OC1N1CCCC1
InChIInChI=1S/C18H22F3NO/c1-2-14-15(13-8-4-3-5-9-13)12-16(18(19,20)21)23-17(14)22-10-6-7-11-22/h3-5,8-9,12,14-15,17H,2,6-7,10-11H2,1H3
InChIKeyZIIFCSVAGQQXEK-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.69
Rot. Bonds3

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

1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine (PubChem CID 165368308) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine
PubChem CID165368308
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Name1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine
SMILESCCC1C(c2ccccc2)C=C(C(F)(F)F)OC1N1CCCC1
InChIInChI=1S/C18H22F3NO/c1-2-14-15(13-8-4-3-5-9-13)12-16(18(19,20)21)23-17(14)22-10-6-7-11-22/h3-5,8-9,12,14-15,17H,2,6-7,10-11H2,1H3
InChIKeyZIIFCSVAGQQXEK-UHFFFAOYSA-N
XLogP4.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine
CID 3061087
1-{3-[3-(4-Fluorophenyl)propoxy]propyl}pyrrolidine
CID 11978506
1-[3-[3-(4-Fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
8-Tert-butyl-3-[2-(4-fluorophenyl)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 18342613
8-Tert-butyl-3-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]decane
CID 18342615
8-Tert-butyl-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 18342616
3-(4-Fluorophenyl)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 67986667
3-(4-Fluorophenyl)-8-methyl-1-oxa-8-azaspiro[4.5]decane
CID 67987633
(3R)-3-(2,4-difluorophenyl)-1-(oxan-4-yl)pyrrolidine
CID 68102912
1-Cyclohexyl-3-(methoxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 69468418
(3R,4S)-3-(2,4-difluorophenyl)-4-methyl-1-(oxan-4-yl)pyrrolidine
CID 70966130
3-(2,4-Difluorophenyl)-1-(oxan-4-yl)pyrrolidine
CID 71102781

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine?
The IUPAC name of 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine (CID 165368308) is 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine.
What is the SMILES notation for 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine?
The canonical SMILES for 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine is CCC1C(c2ccccc2)C=C(C(F)(F)F)OC1N1CCCC1.
What is the InChIKey of 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine?
The InChIKey is ZIIFCSVAGQQXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO/c1-2-14-15(13-8-4-3-5-9-13)12-16(18(19,20)21)23-17(14)22-10-6-7-11-22/h3-5,8-9,12,14-15,17H,2,6-7,10-11H2,1H3.
What are the key properties of 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine?
1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine has a molecular weight of 325.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-2-yl]pyrrolidine is sourced from PubChem (CID 165368308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).