8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H19F2N3O — CID 46991230

IUPAC8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(c2ccccc2)=NC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C20H19F2N3O/c21-16-7-4-8-17(22)15(16)13-25-11-9-20(10-12-25)19(26)23-18(24-20)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24,26)
InChIKeyPUFYYRXNWBPVKF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.88
Rot. Bonds3

About 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46991230) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46991230
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(c2ccccc2)=NC12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C20H19F2N3O/c21-16-7-4-8-17(22)15(16)13-25-11-9-20(10-12-25)19(26)23-18(24-20)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24,26)
InChIKeyPUFYYRXNWBPVKF-UHFFFAOYSA-N
XLogP2.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46991230) is 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C1NC(c2ccccc2)=NC12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PUFYYRXNWBPVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-16-7-4-8-17(22)15(16)13-25-11-9-20(10-12-25)19(26)23-18(24-20)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24,26).
What are the key properties of 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 355.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methyl]-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46991230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).