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

C21H21F3N2O — CID 134795515

IUPAC9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-9-4-8-17(12-18)19-13-20(27-25-19)10-5-11-26(15-20)14-16-6-2-1-3-7-16/h1-4,6-9,12H,5,10-11,13-15H2
InChIKeyMTYDMJPJJASMHB-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.86
Rot. Bonds3

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

9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134795515) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134795515
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCCN(Cc4ccccc4)C3)C2)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-9-4-8-17(12-18)19-13-20(27-25-19)10-5-11-26(15-20)14-16-6-2-1-3-7-16/h1-4,6-9,12H,5,10-11,13-15H2
InChIKeyMTYDMJPJJASMHB-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 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134795515) is 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1cccc(C2=NOC3(CCCN(Cc4ccccc4)C3)C2)c1.
What is the InChIKey of 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is MTYDMJPJJASMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)18-9-4-8-17(12-18)19-13-20(27-25-19)10-5-11-26(15-20)14-16-6-2-1-3-7-16/h1-4,6-9,12H,5,10-11,13-15H2.
What are the key properties of 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
9-benzyl-3-[3-(trifluoromethyl)phenyl]-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 9-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134795515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).