8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one

C19H24F3NO2 — CID 58229996

IUPAC8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCCC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C19H24F3NO2/c1-2-18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)13-19(20,21)22/h3-6,25H,2,7-13H2,1H3
InChIKeyJVDNEJIZMYXXSP-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.23
Rot. Bonds3

About 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one

8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58229996) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58229996
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCCC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C19H24F3NO2/c1-2-18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)13-19(20,21)22/h3-6,25H,2,7-13H2,1H3
InChIKeyJVDNEJIZMYXXSP-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]heptanoic acid
CID 11855588
8-Hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 60194089
8-Hydroxy-8-[(2-oxopiperidin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66547868
8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 66548036
8-hydroxy-2-[4-[(1S)-3-(2-methylpyrrolidin-1-yl)cyclopentyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 68212577
3,3-Dimethyl-5-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 162410945
(5R,9S)-9-hydroxy-9-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonan-1-one
CID 102522514
(4R,5R)-4-hydroxy-4-methyl-7-[4-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decan-6-one
CID 102522519
2-[4-(3,3-Difluorocyclobutyl)phenyl]-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
CID 52911351
2-[4-(3,3-Difluorocyclobutyl)phenyl]-8-hydroxy-8-(methoxymethyl)-2-azaspiro[4.5]decan-1-one
CID 52911352
8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 52911576
8-Hydroxy-8-propyl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229905

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58229996) is 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is CCC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is JVDNEJIZMYXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2/c1-2-18(25)9-7-17(8-10-18)11-12-23(16(17)24)15-5-3-14(4-6-15)13-19(20,21)22/h3-6,25H,2,7-13H2,1H3.
What are the key properties of 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 355.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).