(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine

C16H12F5NO2 — CID 91752815

IUPAC(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
SMILESCOc1ccc(/C(C)=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H12F5NO2/c1-8(9-3-5-10(23-2)6-4-9)22-24-7-11-12(17)14(19)16(21)15(20)13(11)18/h3-6H,7H2,1-2H3/b22-8+
InChIKeyNSIBFOZGYKUYQJ-GZIVZEMBSA-N
MW345.27 g/mol
LogP4.33
Rot. Bonds5

About (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine

(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine (PubChem CID 91752815) has the molecular formula C16H12F5NO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
PubChem CID91752815
Molecular FormulaC16H12F5NO2
Molecular Weight345.27 g/mol
Exact Mass345.08
IUPAC Name(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
SMILESCOc1ccc(/C(C)=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C16H12F5NO2/c1-8(9-3-5-10(23-2)6-4-9)22-24-7-11-12(17)14(19)16(21)15(20)13(11)18/h3-6H,7H2,1-2H3/b22-8+
InChIKeyNSIBFOZGYKUYQJ-GZIVZEMBSA-N
XLogP4.33
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.33
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 (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine (CID 91752815) is (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine is COc1ccc(/C(C)=N/OCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The InChIKey is NSIBFOZGYKUYQJ-GZIVZEMBSA-N. The full InChI is InChI=1S/C16H12F5NO2/c1-8(9-3-5-10(23-2)6-4-9)22-24-7-11-12(17)14(19)16(21)15(20)13(11)18/h3-6H,7H2,1-2H3/b22-8+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
(E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine has a molecular weight of 345.27 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 91752815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).