1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine

C12H6F5NO2 — CID 171139142

IUPAC1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESFc1c(F)c(F)c(CON=Cc2ccco2)c(F)c1F
InChIInChI=1S/C12H6F5NO2/c13-8-7(9(14)11(16)12(17)10(8)15)5-20-18-4-6-2-1-3-19-6/h1-4H,5H2
InChIKeyPLTMCEIKUMIAJJ-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.53
Rot. Bonds4

About 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine

1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (PubChem CID 171139142) has the molecular formula C12H6F5NO2 and a molecular weight of 291.17 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
PubChem CID171139142
Molecular FormulaC12H6F5NO2
Molecular Weight291.17 g/mol
Exact Mass291.03
IUPAC Name1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESFc1c(F)c(F)c(CON=Cc2ccco2)c(F)c1F
InChIInChI=1S/C12H6F5NO2/c13-8-7(9(14)11(16)12(17)10(8)15)5-20-18-4-6-2-1-3-19-6/h1-4H,5H2
InChIKeyPLTMCEIKUMIAJJ-UHFFFAOYSA-N
XLogP3.53
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The IUPAC name of 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (CID 171139142) is 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is Fc1c(F)c(F)c(CON=Cc2ccco2)c(F)c1F.
What is the InChIKey of 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The InChIKey is PLTMCEIKUMIAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5NO2/c13-8-7(9(14)11(16)12(17)10(8)15)5-20-18-4-6-2-1-3-19-6/h1-4H,5H2.
What are the key properties of 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine has a molecular weight of 291.17 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is sourced from PubChem (CID 171139142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).