8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C21H21F3N2O — CID 134793367

IUPAC8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-8-4-7-17(13-18)19-14-20(27-25-19)9-11-26(12-10-20)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
InChIKeyLADZDWPICQLUPD-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.86
Rot. Bonds3

About 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134793367) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134793367
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)CC3)C2)c1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-8-4-7-17(13-18)19-14-20(27-25-19)9-11-26(12-10-20)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
InChIKeyLADZDWPICQLUPD-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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Related Compounds

7-Benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788106
7-[(4-Fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134789172
3-Benzyl-7-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134793247
3-Propan-2-yl-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134794314
4-[[3-[3-(Trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methyl]benzonitrile
CID 134794662
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134800806
3-Propan-2-yl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134787891
4-[[3-[3-(Trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methyl]benzonitrile
CID 134788314
3-[3-(Trifluoromethyl)phenyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788326
3-Phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134788635
9-(Cyclohexylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134788760
9-(Cyclopentylmethyl)-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134789533

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134793367) is 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1cccc(C2=NOC3(CCN(Cc4ccccc4)CC3)C2)c1.
What is the InChIKey of 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is LADZDWPICQLUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)18-8-4-7-17(13-18)19-14-20(27-25-19)9-11-26(12-10-20)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2.
What are the key properties of 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-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 8-benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134793367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).