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

C21H20F3NO — CID 11976178

IUPAC8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(C2=NOC3(CCC(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)18-8-6-17(7-9-18)19-14-20(26-25-19)12-10-16(11-13-20)15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyLOJPTSMKXOIOFE-UHFFFAOYSA-N
MW359.39 g/mol
LogP5.93
Rot. Bonds2

About 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene

8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 11976178) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID11976178
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(C2=NOC3(CCC(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)18-8-6-17(7-9-18)19-14-20(26-25-19)12-10-16(11-13-20)15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyLOJPTSMKXOIOFE-UHFFFAOYSA-N
XLogP5.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 164685193
(5S)-5-phenyl-5-(phenylselanylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668272
(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442988
(E)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one O-(3-phenylpropyl) oxime
CID 178183405
5-(2-methoxypropan-2-yl)-5-methyl-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 178337564
4H-1,2-Oxazine, 5,6-dihydro-5,6,6-trimethyl-3-phenyl-
CID 91714321
5-benzyl-3-(2-fluorophenyl)-5-phenyl-4H-1,2-oxazole
CID 59544913
5-benzyl-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544916
4-Phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 67317175
8-Phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.8]tridec-2-ene
CID 69124239
3-(4-Methylphenyl)-5-phenyl-5-(trifluoromethyl)-2-isoxazoline 2-oxide
CID 72710994
(R)-3,5-Diphenyl-5beta-(trifluoromethyl)-2-isoxazoline
CID 72712516

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 11976178) is 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene is FC(F)(F)c1ccc(C2=NOC3(CCC(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is LOJPTSMKXOIOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c22-21(23,24)18-8-6-17(7-9-18)19-14-20(26-25-19)12-10-16(11-13-20)15-4-2-1-3-5-15/h1-9,16H,10-14H2.
What are the key properties of 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 359.39 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 11976178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).