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

C18H22F3NO3 — CID 58230115

IUPAC8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(Oc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1)C(F)(F)F
InChIInChI=1S/C18H22F3NO3/c1-12(18(19,20)21)25-15-4-2-13(3-5-15)22-11-10-17(16(22)24)8-6-14(23)7-9-17/h2-5,12,14,23H,6-11H2,1H3
InChIKeyRHVNLQFFFNALIE-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.67
Rot. Bonds3

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

8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58230115) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58230115
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC Name8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(Oc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1)C(F)(F)F
InChIInChI=1S/C18H22F3NO3/c1-12(18(19,20)21)25-15-4-2-13(3-5-15)22-11-10-17(16(22)24)8-6-14(23)7-9-17/h2-5,12,14,23H,6-11H2,1H3
InChIKeyRHVNLQFFFNALIE-UHFFFAOYSA-N
XLogP3.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58230115) is 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one is CC(Oc1ccc(N2CCC3(CCC(O)CC3)C2=O)cc1)C(F)(F)F.
What is the InChIKey of 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is RHVNLQFFFNALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c1-12(18(19,20)21)25-15-4-2-13(3-5-15)22-11-10-17(16(22)24)8-6-14(23)7-9-17/h2-5,12,14,23H,6-11H2,1H3.
What are the key properties of 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 357.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).