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

C17H14F5NO — CID 91752813

IUPAC(E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1cc(C)cc(C)c1
InChIInChI=1S/C17H14F5NO/c1-8-4-9(2)6-11(5-8)10(3)23-24-7-12-13(18)15(20)17(22)16(21)14(12)19/h4-6H,7H2,1-3H3/b23-10+
InChIKeyXYRDULNMMSQCON-AUEPDCJTSA-N
MW343.30 g/mol
LogP4.94
Rot. Bonds4

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

(E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine (PubChem CID 91752813) has the molecular formula C17H14F5NO and a molecular weight of 343.30 g/mol. Its IUPAC name is (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
PubChem CID91752813
Molecular FormulaC17H14F5NO
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name(E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1cc(C)cc(C)c1
InChIInChI=1S/C17H14F5NO/c1-8-4-9(2)6-11(5-8)10(3)23-24-7-12-13(18)15(20)17(22)16(21)14(12)19/h4-6H,7H2,1-3H3/b23-10+
InChIKeyXYRDULNMMSQCON-AUEPDCJTSA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine (CID 91752813) is (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine is C/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1cc(C)cc(C)c1.
What is the InChIKey of (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
The InChIKey is XYRDULNMMSQCON-AUEPDCJTSA-N. The full InChI is InChI=1S/C17H14F5NO/c1-8-4-9(2)6-11(5-8)10(3)23-24-7-12-13(18)15(20)17(22)16(21)14(12)19/h4-6H,7H2,1-3H3/b23-10+.
What are the key properties of (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine?
(E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine has a molecular weight of 343.30 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dimethylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 91752813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).