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

C21H20F3NO — CID 67317175

IUPAC4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(C2=NOC3(CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)17-11-9-16(10-12-17)19-18(15-7-3-1-4-8-15)20(26-25-19)13-5-2-6-14-20/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyUFYVVGHDMDSEOG-UHFFFAOYSA-N
MW359.39 g/mol
LogP5.93
Rot. Bonds2

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

4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 67317175) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID67317175
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(C2=NOC3(CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C21H20F3NO/c22-21(23,24)17-11-9-16(10-12-17)19-18(15-7-3-1-4-8-15)20(26-25-19)13-5-2-6-14-20/h1,3-4,7-12,18H,2,5-6,13-14H2
InChIKeyUFYVVGHDMDSEOG-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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 67317175) is 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene is FC(F)(F)c1ccc(C2=NOC3(CCCCC3)C2c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is UFYVVGHDMDSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c22-21(23,24)17-11-9-16(10-12-17)19-18(15-7-3-1-4-8-15)20(26-25-19)13-5-2-6-14-20/h1,3-4,7-12,18H,2,5-6,13-14H2.
What are the key properties of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene?
4-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 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 67317175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).