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

C15H10F5NO — CID 91727711

IUPAC(E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESCc1ccccc1/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H10F5NO/c1-8-4-2-3-5-9(8)6-21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-6+
InChIKeyMYDMRZQQVOVPCP-AERZKKPOSA-N
MW315.24 g/mol
LogP4.24
Rot. Bonds4

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

(E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (PubChem CID 91727711) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
PubChem CID91727711
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name(E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESCc1ccccc1/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H10F5NO/c1-8-4-2-3-5-9(8)6-21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-6+
InChIKeyMYDMRZQQVOVPCP-AERZKKPOSA-N
XLogP4.24
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 ≤ 54.24
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-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (CID 91727711) is (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is Cc1ccccc1/C=N/OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The InChIKey is MYDMRZQQVOVPCP-AERZKKPOSA-N. The full InChI is InChI=1S/C15H10F5NO/c1-8-4-2-3-5-9(8)6-21-22-7-10-11(16)13(18)15(20)14(19)12(10)17/h2-6H,7H2,1H3/b21-6+.
What are the key properties of (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
(E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine has a molecular weight of 315.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methylphenyl)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is sourced from PubChem (CID 91727711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).