8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one

C21H30FNO4 — CID 66548208

IUPAC8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)Oc1ccc(N2CCC3(CCC(O)(COCCF)CC3)C2=O)cc1
InChIInChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3
InChIKeyYCNLXCVDSQLZQU-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.49
Rot. Bonds7

About 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one

8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 66548208) has the molecular formula C21H30FNO4 and a molecular weight of 379.47 g/mol. Its IUPAC name is 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
PubChem CID66548208
Molecular FormulaC21H30FNO4
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)Oc1ccc(N2CCC3(CCC(O)(COCCF)CC3)C2=O)cc1
InChIInChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3
InChIKeyYCNLXCVDSQLZQU-UHFFFAOYSA-N
XLogP3.49
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one (CID 66548208) is 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one is CC(C)Oc1ccc(N2CCC3(CCC(O)(COCCF)CC3)C2=O)cc1.
What is the InChIKey of 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is YCNLXCVDSQLZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3.
What are the key properties of 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one?
8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 379.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethoxymethyl)-8-hydroxy-2-(4-propan-2-yloxyphenyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66548208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).