N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C20H20F3N3O — CID 137105476

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFC(F)(F)c1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)15-6-2-1-5-14(15)13-24-18-19(9-11-27-12-10-19)26-17-8-4-3-7-16(17)25-18/h1-8,26H,9-13H2,(H,24,25)
InChIKeyXEFLKKHUZBVZIN-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.69
Rot. Bonds2

About N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137105476) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137105476
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFC(F)(F)c1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)15-6-2-1-5-14(15)13-24-18-19(9-11-27-12-10-19)26-17-8-4-3-7-16(17)25-18/h1-8,26H,9-13H2,(H,24,25)
InChIKeyXEFLKKHUZBVZIN-UHFFFAOYSA-N
XLogP4.69
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137105476) is N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is FC(F)(F)c1ccccc1C/N=C1\Nc2ccccc2NC12CCOCC2.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is XEFLKKHUZBVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)15-6-2-1-5-14(15)13-24-18-19(9-11-27-12-10-19)26-17-8-4-3-7-16(17)25-18/h1-8,26H,9-13H2,(H,24,25).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 375.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137105476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).