8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one

C19H24F3NO3 — CID 58229914

IUPAC8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
SMILESCOCCc1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C19H24F3NO3/c1-26-13-6-14-2-4-15(5-3-14)23-12-11-17(16(23)24)7-9-18(25,10-8-17)19(20,21)22/h2-5,25H,6-13H2,1H3
InChIKeyYLVVBCNZISAVLY-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.47
Rot. Bonds4

About 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58229914) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58229914
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
SMILESCOCCc1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C19H24F3NO3/c1-26-13-6-14-2-4-15(5-3-14)23-12-11-17(16(23)24)7-9-18(25,10-8-17)19(20,21)22/h2-5,25H,6-13H2,1H3
InChIKeyYLVVBCNZISAVLY-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 60194089
(5R,7R,8R)-8-hydroxy-7-propan-2-yloxy-2-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546840
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546841
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546843
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
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
8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229922
8-(2,2-Difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229930

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one (CID 58229914) is 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one is COCCc1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1.
What is the InChIKey of 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YLVVBCNZISAVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-26-13-6-14-2-4-15(5-3-14)23-12-11-17(16(23)24)7-9-18(25,10-8-17)19(20,21)22/h2-5,25H,6-13H2,1H3.
What are the key properties of 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 371.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[4-(2-methoxyethyl)phenyl]-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).