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

C19H21F6NO3 — CID 58230071

IUPAC8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)(F)F)CC2
InChIInChI=1S/C19H21F6NO3/c20-18(21,22)12-29-11-17(28)7-5-16(6-8-17)9-10-26(15(16)27)14-3-1-13(2-4-14)19(23,24)25/h1-4,28H,5-12H2
InChIKeyHOVSOLGJLQSZLP-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.31
Rot. Bonds4

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

8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58230071) has the molecular formula C19H21F6NO3 and a molecular weight of 425.37 g/mol. Its IUPAC name is 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58230071
Molecular FormulaC19H21F6NO3
Molecular Weight425.37 g/mol
Exact Mass425.14
IUPAC Name8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)(F)F)CC2
InChIInChI=1S/C19H21F6NO3/c20-18(21,22)12-29-11-17(28)7-5-16(6-8-17)9-10-26(15(16)27)14-3-1-13(2-4-14)19(23,24)25/h1-4,28H,5-12H2
InChIKeyHOVSOLGJLQSZLP-UHFFFAOYSA-N
XLogP4.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)methyl]-8-hydroxy-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66551684
8-hydroxy-8-(oxetan-2-ylmethoxymethyl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 52911408
2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,8-dione
CID 58230172
3-[[8-hydroxy-1-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-2-azaspiro[4.5]decan-8-yl]methyl]-1,3-oxazolidin-2-one
CID 66551091
8-hydroxy-8-[(2-oxopiperidin-1-yl)methyl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230173
2-(4-tert-butylphenyl)-8-hydroxy-8-(propan-2-ylsulfonylmethyl)-2-azaspiro[4.5]decan-1-one
CID 58230174
2-[4-(2,2-difluoro-1-hydroxypropyl)phenyl]-8-hydroxy-8-propyl-2-azaspiro[4.5]decan-1-one
CID 58229933
(5R,7R,8R)-8-hydroxy-7-(2,2,2-trifluoroethoxy)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 66546473
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 76709403
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
8-(benzenesulfonyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 59577892

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58230071) is 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCC(O)(COCC(F)(F)F)CC2.
What is the InChIKey of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is HOVSOLGJLQSZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6NO3/c20-18(21,22)12-29-11-17(28)7-5-16(6-8-17)9-10-26(15(16)27)14-3-1-13(2-4-14)19(23,24)25/h1-4,28H,5-12H2.
What are the key properties of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 425.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).