ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one

C17H21F3N2O2 — CID 143538706

IUPACethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC.O=C1NC2(CCCCC2)N=C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2.C2H6/c16-15(17,18)22-11-6-4-10(5-7-11)12-13(21)20-14(19-12)8-2-1-3-9-14;1-2/h4-7H,1-3,8-9H2,(H,20,21);1-2H3
InChIKeyZBRFDULYZAHWPO-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.19
Rot. Bonds2

About ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one

ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 143538706) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Nameethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID143538706
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Nameethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCC.O=C1NC2(CCCCC2)N=C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O2.C2H6/c16-15(17,18)22-11-6-4-10(5-7-11)12-13(21)20-14(19-12)8-2-1-3-9-14;1-2/h4-7H,1-3,8-9H2,(H,20,21);1-2H3
InChIKeyZBRFDULYZAHWPO-UHFFFAOYSA-N
XLogP4.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 46741889
8-(2-Fluorobenzyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029521
8-[(3-Fluorophenyl)methyl]-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-EN-2-one
CID 53029529
3-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962235
3-(4-Methoxyphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962237
1-[5-Hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(4-methoxyphenyl)ethan-1-one
CID 3147073
1-[[2-[4-(Difluoromethoxy)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 72153418
6-(4-Methoxyphenyl)-3-[(2-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135634760
N-(4-phenylbutan-2-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 23650191
1-Ethyl-3-[4-(trifluoromethoxy)phenyl]pyrazin-2-one
CID 44477234
Ethyl (2-oxo-3-{4-[(trifluoromethyl)oxy]phenyl}-1,4-diazaspiro[4.5]dec-3-en-1-yl)acetate
CID 57608570
(2-Oxo-3-{4-[(trifluoromethyl)oxy]phenyl}-1,4-diazaspiro[4.5]dec-3-en-1-yl)acetic acid
CID 57608582

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 143538706) is ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one is CC.O=C1NC2(CCCCC2)N=C1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is ZBRFDULYZAHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2.C2H6/c16-15(17,18)22-11-6-4-10(5-7-11)12-13(21)20-14(19-12)8-2-1-3-9-14;1-2/h4-7H,1-3,8-9H2,(H,20,21);1-2H3.
What are the key properties of ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one?
ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 342.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(trifluoromethoxy)phenyl]-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 143538706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).