3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C21H21F3N2O — CID 134788635

IUPAC3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-9-7-16(8-10-18)14-26-12-4-11-20(15-26)13-19(25-27-20)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKeySMZODXRPMNLNPY-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.86
Rot. Bonds3

About 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134788635) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134788635
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-9-7-16(8-10-18)14-26-12-4-11-20(15-26)13-19(25-27-20)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2
InChIKeySMZODXRPMNLNPY-UHFFFAOYSA-N
XLogP4.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134788635) is 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1.
What is the InChIKey of 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is SMZODXRPMNLNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)18-9-7-16(8-10-18)14-26-12-4-11-20(15-26)13-19(25-27-20)17-5-2-1-3-6-17/h1-3,5-10H,4,11-15H2.
What are the key properties of 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 374.41 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134788635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).