8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C21H19F5N2O2 — CID 56655612

IUPAC8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1c(F)cccc1F)CC2
InChIInChI=1S/C21H19F5N2O2/c22-16-2-1-3-17(23)18(16)27-11-8-20(9-12-27)10-13-28(19(20)29)14-4-6-15(7-5-14)30-21(24,25)26/h1-7H,8-13H2
InChIKeyPQTRCALEHRNLJK-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.89
Rot. Bonds3

About 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56655612) has the molecular formula C21H19F5N2O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56655612
Molecular FormulaC21H19F5N2O2
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC Name8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1c(F)cccc1F)CC2
InChIInChI=1S/C21H19F5N2O2/c22-16-2-1-3-17(23)18(16)27-11-8-20(9-12-27)10-13-28(19(20)29)14-4-6-15(7-5-14)30-21(24,25)26/h1-7H,8-13H2
InChIKeyPQTRCALEHRNLJK-UHFFFAOYSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
(5R,7R,8R)-7-ethoxy-8-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546472
8-pyridin-3-ylsulfonyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577912
N-(3-chlorophenyl)-N-methyl-1-oxo-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59577983
8-(2-cyclobutylacetyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577965
1-oxo-N-propyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 59578009
[1-oxo-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl] N-cyclopropylcarbamate
CID 52911927
8-(3-hydroxy-3-methylpentanoyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577958
8-butyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-1,7-dione
CID 53482684
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56655612) is 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(c1c(F)cccc1F)CC2.
What is the InChIKey of 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PQTRCALEHRNLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N2O2/c22-16-2-1-3-17(23)18(16)27-11-8-20(9-12-27)10-13-28(19(20)29)14-4-6-15(7-5-14)30-21(24,25)26/h1-7H,8-13H2.
What are the key properties of 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 426.39 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56655612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).