8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one

C20H26F3NO2 — CID 58230154

IUPAC8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCCC1(O)CCC2(CCN(c3ccc(CCC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H26F3NO2/c1-2-19(26)11-9-18(10-12-19)13-14-24(17(18)25)16-5-3-15(4-6-16)7-8-20(21,22)23/h3-6,26H,2,7-14H2,1H3
InChIKeyFUZCSDBUADCNNQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.62
Rot. Bonds4

About 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one

8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58230154) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58230154
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCCC1(O)CCC2(CCN(c3ccc(CCC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H26F3NO2/c1-2-19(26)11-9-18(10-12-19)13-14-24(17(18)25)16-5-3-15(4-6-16)7-8-20(21,22)23/h3-6,26H,2,7-14H2,1H3
InChIKeyFUZCSDBUADCNNQ-UHFFFAOYSA-N
XLogP4.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58230154) is 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one is CCC1(O)CCC2(CCN(c3ccc(CCC(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is FUZCSDBUADCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-2-19(26)11-9-18(10-12-19)13-14-24(17(18)25)16-5-3-15(4-6-16)7-8-20(21,22)23/h3-6,26H,2,7-14H2,1H3.
What are the key properties of 8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-ethyl-8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 369.43 g/mol, XLogP of 4.62, 4 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-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).