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

C15H10F5NO — CID 91752816

IUPAC(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H10F5NO/c1-8(9-5-3-2-4-6-9)21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-8+
InChIKeyMICGAUDRWWJXQO-ODCIPOBUSA-N
MW315.24 g/mol
LogP4.32
Rot. Bonds4

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

(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine (PubChem CID 91752816) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine
PubChem CID91752816
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C15H10F5NO/c1-8(9-5-3-2-4-6-9)21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-8+
InChIKeyMICGAUDRWWJXQO-ODCIPOBUSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.32
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)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine?
The IUPAC name of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine (CID 91752816) is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine.
What is the SMILES notation for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine?
The canonical SMILES for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine is C/C(=N\OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine?
The InChIKey is MICGAUDRWWJXQO-ODCIPOBUSA-N. The full InChI is InChI=1S/C15H10F5NO/c1-8(9-5-3-2-4-6-9)21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-8+.
What are the key properties of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine?
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine has a molecular weight of 315.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylethanimine is sourced from PubChem (CID 91752816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).