(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine

C13H9F2NO — CID 11264777

IUPAC(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine
SMILESFc1cc(F)cc(/C=N/Oc2ccccc2)c1
InChIInChI=1S/C13H9F2NO/c14-11-6-10(7-12(15)8-11)9-16-17-13-4-2-1-3-5-13/h1-9H/b16-9+
InChIKeyPBFWUNGGBKDJFH-CXUHLZMHSA-N
MW233.22 g/mol
LogP3.38
Rot. Bonds3

About (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine

(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine (PubChem CID 11264777) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine.

Molecular Properties

Compound Name(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine
PubChem CID11264777
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine
SMILESFc1cc(F)cc(/C=N/Oc2ccccc2)c1
InChIInChI=1S/C13H9F2NO/c14-11-6-10(7-12(15)8-11)9-16-17-13-4-2-1-3-5-13/h1-9H/b16-9+
InChIKeyPBFWUNGGBKDJFH-CXUHLZMHSA-N
XLogP3.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 53.38
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)-1-(3,5-difluorophenyl)-N-phenoxymethanimine?
The IUPAC name of (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine (CID 11264777) is (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine.
What is the SMILES notation for (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine?
The canonical SMILES for (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine is Fc1cc(F)cc(/C=N/Oc2ccccc2)c1.
What is the InChIKey of (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine?
The InChIKey is PBFWUNGGBKDJFH-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-11-6-10(7-12(15)8-11)9-16-17-13-4-2-1-3-5-13/h1-9H/b16-9+.
What are the key properties of (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine?
(E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine has a molecular weight of 233.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-difluorophenyl)-N-phenoxymethanimine is sourced from PubChem (CID 11264777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).