(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine

C17H13F2NO2 — CID 139086407

IUPAC(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)cccc1F)c1cc2ccccc2o1
InChIInChI=1S/C17H13F2NO2/c1-11(17-9-12-5-2-3-8-16(12)22-17)20-21-10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3/b20-11+
InChIKeyNTNYRKJVUYZPKC-RGVLZGJSSA-N
MW301.29 g/mol
LogP4.65
Rot. Bonds4

About (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine

(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine (PubChem CID 139086407) has the molecular formula C17H13F2NO2 and a molecular weight of 301.29 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
PubChem CID139086407
Molecular FormulaC17H13F2NO2
Molecular Weight301.29 g/mol
Exact Mass301.09
IUPAC Name(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)cccc1F)c1cc2ccccc2o1
InChIInChI=1S/C17H13F2NO2/c1-11(17-9-12-5-2-3-8-16(12)22-17)20-21-10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3/b20-11+
InChIKeyNTNYRKJVUYZPKC-RGVLZGJSSA-N
XLogP4.65
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 5136485
3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]chromen-2-one
CID 177375369
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3377466
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-N-methylmethanamine
CID 59951457
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
CID 3930338
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 88957299
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanone
CID 114885395

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine (CID 139086407) is (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine is C/C(=N\OCc1c(F)cccc1F)c1cc2ccccc2o1.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine?
The InChIKey is NTNYRKJVUYZPKC-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H13F2NO2/c1-11(17-9-12-5-2-3-8-16(12)22-17)20-21-10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3/b20-11+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine?
(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine has a molecular weight of 301.29 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 139086407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).