8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

C20H24F6N2O4 — CID 52912129

IUPAC8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESC[C@@H](Oc1ccc(N2CCC3(CCC(O)(COCC(F)(F)F)CC3)C2=O)cn1)C(F)(F)F
InChIInChI=1S/C20H24F6N2O4/c1-13(20(24,25)26)32-15-3-2-14(10-27-15)28-9-8-17(16(28)29)4-6-18(30,7-5-17)11-31-12-19(21,22)23/h2-3,10,13,30H,4-9,11-12H2,1H3/t13-,17?,18?/m1/s1
InChIKeyATKDXZSXZCJWJW-NLNFPOJYSA-N
MW470.41 g/mol
LogP4.02
Rot. Bonds6

About 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 52912129) has the molecular formula C20H24F6N2O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
PubChem CID52912129
Molecular FormulaC20H24F6N2O4
Molecular Weight470.41 g/mol
Exact Mass470.16
IUPAC Name8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one
SMILESC[C@@H](Oc1ccc(N2CCC3(CCC(O)(COCC(F)(F)F)CC3)C2=O)cn1)C(F)(F)F
InChIInChI=1S/C20H24F6N2O4/c1-13(20(24,25)26)32-15-3-2-14(10-27-15)28-9-8-17(16(28)29)4-6-18(30,7-5-17)11-31-12-19(21,22)23/h2-3,10,13,30H,4-9,11-12H2,1H3/t13-,17?,18?/m1/s1
InChIKeyATKDXZSXZCJWJW-NLNFPOJYSA-N
XLogP4.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one (CID 52912129) is 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is C[C@@H](Oc1ccc(N2CCC3(CCC(O)(COCC(F)(F)F)CC3)C2=O)cn1)C(F)(F)F.
What is the InChIKey of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is ATKDXZSXZCJWJW-NLNFPOJYSA-N. The full InChI is InChI=1S/C20H24F6N2O4/c1-13(20(24,25)26)32-15-3-2-14(10-27-15)28-9-8-17(16(28)29)4-6-18(30,7-5-17)11-31-12-19(21,22)23/h2-3,10,13,30H,4-9,11-12H2,1H3/t13-,17?,18?/m1/s1.
What are the key properties of 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 470.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-(2,2,2-trifluoroethoxymethyl)-2-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 52912129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).