(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine

C16H14F2N2 — CID 5394703

IUPAC(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3/b19-11+,20-12+
InChIKeyBTCAYYIXEROQOH-AYKLPDECSA-N
MW272.30 g/mol
LogP4.20
Rot. Bonds3

About (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine

(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine (PubChem CID 5394703) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine
PubChem CID5394703
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3/b19-11+,20-12+
InChIKeyBTCAYYIXEROQOH-AYKLPDECSA-N
XLogP4.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.20
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-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine (CID 5394703) is (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine is C/C(=N\N=C(/C)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine?
The InChIKey is BTCAYYIXEROQOH-AYKLPDECSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,1-2H3/b19-11+,20-12+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine?
(E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine has a molecular weight of 272.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]ethanimine is sourced from PubChem (CID 5394703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).