cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone

C21H25F3N2O2 — CID 134787769

IUPACcyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)17-9-4-8-16(12-17)18-13-20(28-25-18)10-5-11-26(14-20)19(27)15-6-2-1-3-7-15/h4,8-9,12,15H,1-3,5-7,10-11,13-14H2
InChIKeyGXZIVDXNGIJCGY-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.77
Rot. Bonds2

About cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone

cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone (PubChem CID 134787769) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
PubChem CID134787769
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Namecyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)17-9-4-8-16(12-17)18-13-20(28-25-18)10-5-11-26(14-20)19(27)15-6-2-1-3-7-15/h4,8-9,12,15H,1-3,5-7,10-11,13-14H2
InChIKeyGXZIVDXNGIJCGY-UHFFFAOYSA-N
XLogP4.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone?
The IUPAC name of cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone (CID 134787769) is cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone is O=C(C1CCCCC1)N1CCCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1.
What is the InChIKey of cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone?
The InChIKey is GXZIVDXNGIJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c22-21(23,24)17-9-4-8-16(12-17)18-13-20(28-25-18)10-5-11-26(14-20)19(27)15-6-2-1-3-7-15/h4,8-9,12,15H,1-3,5-7,10-11,13-14H2.
What are the key properties of cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone?
cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone has a molecular weight of 394.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone is sourced from PubChem (CID 134787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).