3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene

C17H20F3NO2 — CID 15363396

IUPAC3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
SMILESCCOC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H20F3NO2/c1-2-22-14-16(17(18,19)20,13-9-5-3-6-10-13)23-15(21-14)11-7-4-8-12-15/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyLKZQZXSOSWCDCD-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.57
Rot. Bonds2

About 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene

3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene (PubChem CID 15363396) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
PubChem CID15363396
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
SMILESCCOC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H20F3NO2/c1-2-22-14-16(17(18,19)20,13-9-5-3-6-10-13)23-15(21-14)11-7-4-8-12-15/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKeyLKZQZXSOSWCDCD-UHFFFAOYSA-N
XLogP4.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
[(E)-1-phenylbut-2-enyl] 2,2,2-trifluoro-N-(2-phenylethyl)ethanimidate
CID 139250962
Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate
CID 10538427
(6R)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
CID 10850828
2-Phenyl-3-propan-2-yloxy-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene
CID 15363395
N-[4-butoxy-4-(2,5-difluorophenyl)cyclohexylidene]hydroxylamine
CID 21528176
4-Tert-butyl-5,5-difluoro-2-phenyl-4-(2-phenylethoxy)-1,3-oxazole
CID 70293533
methyl (1E)-2-methoxy-N-[methoxy(diphenyl)methyl]ethanimidate
CID 10851700
2-(3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 11033697
2-(2-ethyl-3,3-diphenyloxiran-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 12969918
2-[(2R)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101992705
2-[(2S)-3,3-diphenyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 102371178

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene (CID 15363396) is 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene is CCOC1=NC2(CCCCC2)OC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
The InChIKey is LKZQZXSOSWCDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-2-22-14-16(17(18,19)20,13-9-5-3-6-10-13)23-15(21-14)11-7-4-8-12-15/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3.
What are the key properties of 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene?
3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene has a molecular weight of 327.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-phenyl-2-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 15363396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).