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

C22H20F6N2O — CID 134795704

IUPAC3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(CN2CCC3(CC2)CC(c2cccc(C(F)(F)F)c2)=NO3)cc1
InChIInChI=1S/C22H20F6N2O/c23-21(24,25)17-6-4-15(5-7-17)14-30-10-8-20(9-11-30)13-19(29-31-20)16-2-1-3-18(12-16)22(26,27)28/h1-7,12H,8-11,13-14H2
InChIKeyUFGNQOOINZOQFF-UHFFFAOYSA-N
MW442.40 g/mol
LogP5.88
Rot. Bonds3

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

3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134795704) has the molecular formula C22H20F6N2O and a molecular weight of 442.40 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134795704
Molecular FormulaC22H20F6N2O
Molecular Weight442.40 g/mol
Exact Mass442.15
IUPAC Name3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESFC(F)(F)c1ccc(CN2CCC3(CC2)CC(c2cccc(C(F)(F)F)c2)=NO3)cc1
InChIInChI=1S/C22H20F6N2O/c23-21(24,25)17-6-4-15(5-7-17)14-30-10-8-20(9-11-30)13-19(29-31-20)16-2-1-3-18(12-16)22(26,27)28/h1-7,12H,8-11,13-14H2
InChIKeyUFGNQOOINZOQFF-UHFFFAOYSA-N
XLogP5.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Benzyl-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134793367
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
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
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
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
3-[3-(Trifluoromethyl)phenyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134789894

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134795704) is 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is FC(F)(F)c1ccc(CN2CCC3(CC2)CC(c2cccc(C(F)(F)F)c2)=NO3)cc1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is UFGNQOOINZOQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N2O/c23-21(24,25)17-6-4-15(5-7-17)14-30-10-8-20(9-11-30)13-19(29-31-20)16-2-1-3-18(12-16)22(26,27)28/h1-7,12H,8-11,13-14H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 442.40 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134795704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).