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

C18H22F3NO2 — CID 66579984

IUPAC8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(CCC(F)(F)F)cc2)CCC12CCC(O)CC2
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)10-5-13-1-3-14(4-2-13)22-12-11-17(16(22)24)8-6-15(23)7-9-17/h1-4,15,23H,5-12H2
InChIKeyIWEXWSTXZNMESV-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.84
Rot. Bonds3

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

8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 66579984) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID66579984
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(CCC(F)(F)F)cc2)CCC12CCC(O)CC2
InChIInChI=1S/C18H22F3NO2/c19-18(20,21)10-5-13-1-3-14(4-2-13)22-12-11-17(16(22)24)8-6-15(23)7-9-17/h1-4,15,23H,5-12H2
InChIKeyIWEXWSTXZNMESV-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 66579984) is 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(CCC(F)(F)F)cc2)CCC12CCC(O)CC2.
What is the InChIKey of 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is IWEXWSTXZNMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c19-18(20,21)10-5-13-1-3-14(4-2-13)22-12-11-17(16(22)24)8-6-15(23)7-9-17/h1-4,15,23H,5-12H2.
What are the key properties of 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 341.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66579984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).