N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

C19H19F2N3O — CID 137105499

IUPACN-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cc2c(cc1F)NC1(CCOCC1)/C(=N/Cc1ccccc1)N2
InChIInChI=1S/C19H19F2N3O/c20-14-10-16-17(11-15(14)21)24-19(6-8-25-9-7-19)18(23-16)22-12-13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2,(H,22,23)
InChIKeyAVHFLYRUDHRULN-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.95
Rot. Bonds2

About N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine

N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (PubChem CID 137105499) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.

Molecular Properties

Compound NameN-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
PubChem CID137105499
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
SMILESFc1cc2c(cc1F)NC1(CCOCC1)/C(=N/Cc1ccccc1)N2
InChIInChI=1S/C19H19F2N3O/c20-14-10-16-17(11-15(14)21)24-19(6-8-25-9-7-19)18(23-16)22-12-13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2,(H,22,23)
InChIKeyAVHFLYRUDHRULN-UHFFFAOYSA-N
XLogP3.95
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.95
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-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The IUPAC name of N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine (CID 137105499) is N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine.
What is the SMILES notation for N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The canonical SMILES for N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is Fc1cc2c(cc1F)NC1(CCOCC1)/C(=N/Cc1ccccc1)N2.
What is the InChIKey of N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
The InChIKey is AVHFLYRUDHRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-14-10-16-17(11-15(14)21)24-19(6-8-25-9-7-19)18(23-16)22-12-13-4-2-1-3-5-13/h1-5,10-11,24H,6-9,12H2,(H,22,23).
What are the key properties of N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine?
N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine has a molecular weight of 343.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-difluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine is sourced from PubChem (CID 137105499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).