6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

C15H17F3N2O3 — CID 126573825

IUPAC6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1Cc1ccccc1
InChIInChI=1S/C13H16N2O.C2HF3O2/c16-12-6-13(8-14-9-13)10-15(12)7-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-5,14H,6-10H2;(H,6,7)
InChIKeyZEWCHOIWCYZRJZ-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.64
Rot. Bonds2

About 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid

6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (PubChem CID 126573825) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
PubChem CID126573825
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1Cc1ccccc1
InChIInChI=1S/C13H16N2O.C2HF3O2/c16-12-6-13(8-14-9-13)10-15(12)7-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-5,14H,6-10H2;(H,6,7)
InChIKeyZEWCHOIWCYZRJZ-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid (CID 126573825) is 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CC2(CNC2)CN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZEWCHOIWCYZRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.C2HF3O2/c16-12-6-13(8-14-9-13)10-15(12)7-11-4-2-1-3-5-11;3-2(4,5)1(6)7/h1-5,14H,6-10H2;(H,6,7).
What are the key properties of 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid?
6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 330.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,6-diazaspiro[3.4]octan-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).