(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine

C13H7F4NO — CID 11149873

IUPAC(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine
SMILESFc1cc(F)cc(/C=N/Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H7F4NO/c14-9-1-8(2-10(15)3-9)7-18-19-13-5-11(16)4-12(17)6-13/h1-7H/b18-7+
InChIKeyHWPWKAIZGIXYAC-CNHKJKLMSA-N
MW269.20 g/mol
LogP3.66
Rot. Bonds3

About (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine

(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine (PubChem CID 11149873) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine
PubChem CID11149873
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine
SMILESFc1cc(F)cc(/C=N/Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H7F4NO/c14-9-1-8(2-10(15)3-9)7-18-19-13-5-11(16)4-12(17)6-13/h1-7H/b18-7+
InChIKeyHWPWKAIZGIXYAC-CNHKJKLMSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine?
The IUPAC name of (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine (CID 11149873) is (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine.
What is the SMILES notation for (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine?
The canonical SMILES for (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine is Fc1cc(F)cc(/C=N/Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine?
The InChIKey is HWPWKAIZGIXYAC-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-9-1-8(2-10(15)3-9)7-18-19-13-5-11(16)4-12(17)6-13/h1-7H/b18-7+.
What are the key properties of (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine?
(E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine has a molecular weight of 269.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-difluorophenoxy)-1-(3,5-difluorophenyl)methanimine is sourced from PubChem (CID 11149873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).