1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine

C13H15F2NO — CID 166782904

IUPAC1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine
SMILESC=C(OCCCF)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C13H15F2NO/c1-10(17-9-3-8-14)13(16-2)11-4-6-12(15)7-5-11/h4-7H,1,3,8-9H2,2H3/b16-13+
InChIKeyQPEGPLTVWIIKCC-DTQAZKPQSA-N
MW239.26 g/mol
LogP3.13
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine

1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine (PubChem CID 166782904) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine
PubChem CID166782904
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine
SMILESC=C(OCCCF)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C13H15F2NO/c1-10(17-9-3-8-14)13(16-2)11-4-6-12(15)7-5-11/h4-7H,1,3,8-9H2,2H3/b16-13+
InChIKeyQPEGPLTVWIIKCC-DTQAZKPQSA-N
XLogP3.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine (CID 166782904) is 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine is C=C(OCCCF)/C(=N\C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine?
The InChIKey is QPEGPLTVWIIKCC-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-10(17-9-3-8-14)13(16-2)11-4-6-12(15)7-5-11/h4-7H,1,3,8-9H2,2H3/b16-13+.
What are the key properties of 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine?
1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine has a molecular weight of 239.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-fluoropropoxy)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 166782904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).