2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one

C18H24FNO2 — CID 134556753

IUPAC2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
SMILESCC(C)OC1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C18H24FNO2/c1-13(2)22-16-7-9-18(10-8-16)11-12-20(17(18)21)15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3
InChIKeyYZEADGNODRWUAB-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.92
Rot. Bonds3

About 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one

2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one (PubChem CID 134556753) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
PubChem CID134556753
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
SMILESCC(C)OC1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C18H24FNO2/c1-13(2)22-16-7-9-18(10-8-16)11-12-20(17(18)21)15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3
InChIKeyYZEADGNODRWUAB-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one (CID 134556753) is 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one is CC(C)OC1CCC2(CC1)CCN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is YZEADGNODRWUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13(2)22-16-7-9-18(10-8-16)11-12-20(17(18)21)15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one?
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 305.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 134556753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).