N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine

C14H15Cl2F2NO3 — CID 22963375

IUPACN-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine
SMILESCC(C)=NOCCOc1c(F)cc(OC/C=C(\F)Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F2NO3/c1-9(2)19-22-6-5-21-14-11(15)7-10(8-12(14)17)20-4-3-13(16)18/h3,7-8H,4-6H2,1-2H3/b13-3-
InChIKeyYYCNDXBPXNRLMK-DXNYSGJVSA-N
MW354.18 g/mol
LogP4.70
Rot. Bonds8

About N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine

N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine (PubChem CID 22963375) has the molecular formula C14H15Cl2F2NO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine.

Molecular Properties

Compound NameN-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine
PubChem CID22963375
Molecular FormulaC14H15Cl2F2NO3
Molecular Weight354.18 g/mol
Exact Mass353.04
IUPAC NameN-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine
SMILESCC(C)=NOCCOc1c(F)cc(OC/C=C(\F)Cl)cc1Cl
InChIInChI=1S/C14H15Cl2F2NO3/c1-9(2)19-22-6-5-21-14-11(15)7-10(8-12(14)17)20-4-3-13(16)18/h3,7-8H,4-6H2,1-2H3/b13-3-
InChIKeyYYCNDXBPXNRLMK-DXNYSGJVSA-N
XLogP4.70
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine?
The IUPAC name of N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine (CID 22963375) is N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine.
What is the SMILES notation for N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine?
The canonical SMILES for N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine is CC(C)=NOCCOc1c(F)cc(OC/C=C(\F)Cl)cc1Cl.
What is the InChIKey of N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine?
The InChIKey is YYCNDXBPXNRLMK-DXNYSGJVSA-N. The full InChI is InChI=1S/C14H15Cl2F2NO3/c1-9(2)19-22-6-5-21-14-11(15)7-10(8-12(14)17)20-4-3-13(16)18/h3,7-8H,4-6H2,1-2H3/b13-3-.
What are the key properties of N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine?
N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine has a molecular weight of 354.18 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-4-[(E)-3-chloro-3-fluoroprop-2-enoxy]-6-fluorophenoxy]ethoxy]propan-2-imine is sourced from PubChem (CID 22963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).