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

C20H24F5NO3 — CID 58229930

IUPAC8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2
InChIInChI=1S/C20H24F5NO3/c21-16(22)12-29-13-19(28)7-5-18(6-8-19)9-10-26(17(18)27)15-3-1-14(2-4-15)11-20(23,24)25/h1-4,16,28H,5-13H2
InChIKeyQSNFXPRSIQVJPZ-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.10
Rot. Bonds6

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

8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58229930) has the molecular formula C20H24F5NO3 and a molecular weight of 421.41 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58229930
Molecular FormulaC20H24F5NO3
Molecular Weight421.41 g/mol
Exact Mass421.17
IUPAC Name8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(CC(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2
InChIInChI=1S/C20H24F5NO3/c21-16(22)12-29-13-19(28)7-5-18(6-8-19)9-10-26(17(18)27)15-3-1-14(2-4-15)11-20(23,24)25/h1-4,16,28H,5-13H2
InChIKeyQSNFXPRSIQVJPZ-UHFFFAOYSA-N
XLogP4.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58229930) is 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(CC(F)(F)F)cc2)CCC12CCC(O)(COCC(F)F)CC2.
What is the InChIKey of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is QSNFXPRSIQVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F5NO3/c21-16(22)12-29-13-19(28)7-5-18(6-8-19)9-10-26(17(18)27)15-3-1-14(2-4-15)11-20(23,24)25/h1-4,16,28H,5-13H2.
What are the key properties of 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 421.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxymethyl)-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).