2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

C16H18F3NO2 — CID 141342179

IUPAC2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCCCC2
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)22-13-6-4-12(5-7-13)20-11-10-15(14(20)21)8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyHDVILMHENLNEJP-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.27
Rot. Bonds2

About 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one

2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 141342179) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID141342179
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCCCC2
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)22-13-6-4-12(5-7-13)20-11-10-15(14(20)21)8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyHDVILMHENLNEJP-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one (CID 141342179) is 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCCCC2.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is HDVILMHENLNEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)22-13-6-4-12(5-7-13)20-11-10-15(14(20)21)8-2-1-3-9-15/h4-7H,1-3,8-11H2.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one?
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 313.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 141342179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).