N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine

C11H9Cl2F2NO — CID 168864510

IUPACN-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)ON=CC
InChIInChI=1S/C11H9Cl2F2NO/c1-3-16-17-11(14,15)7(2)8-4-9(12)6-10(13)5-8/h3-6H,2H2,1H3
InChIKeyZJKXPKXZPDGGDC-UHFFFAOYSA-N
MW280.10 g/mol
LogP4.62
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine

N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine (PubChem CID 168864510) has the molecular formula C11H9Cl2F2NO and a molecular weight of 280.10 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine
PubChem CID168864510
Molecular FormulaC11H9Cl2F2NO
Molecular Weight280.10 g/mol
Exact Mass279.00
IUPAC NameN-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)ON=CC
InChIInChI=1S/C11H9Cl2F2NO/c1-3-16-17-11(14,15)7(2)8-4-9(12)6-10(13)5-8/h3-6H,2H2,1H3
InChIKeyZJKXPKXZPDGGDC-UHFFFAOYSA-N
XLogP4.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 54.62
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 N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine (CID 168864510) is N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine is C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)ON=CC.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine?
The InChIKey is ZJKXPKXZPDGGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F2NO/c1-3-16-17-11(14,15)7(2)8-4-9(12)6-10(13)5-8/h3-6H,2H2,1H3.
What are the key properties of N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine?
N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine has a molecular weight of 280.10 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enoxy]ethanimine is sourced from PubChem (CID 168864510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).