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

C17H16F2N2O2 — CID 2827934

IUPAC1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
SMILESCC(=NOCON=C(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3
InChIKeyIESRGEOYCVWPFK-UHFFFAOYSA-N
MW318.32 g/mol
LogP4.10
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine (PubChem CID 2827934) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
PubChem CID2827934
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine
SMILESCC(=NOCON=C(C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3
InChIKeyIESRGEOYCVWPFK-UHFFFAOYSA-N
XLogP4.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-ylmethoxy)ethanimine
CID 102088102
1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2826848
[1-(4-fluorophenyl)ethylideneamino] 4-chlorobenzoate
CID 2803461
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]oxyethanol
CID 173297287
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
CID 6914257
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine
CID 76620561
4-[4-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 139966326

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine (CID 2827934) is 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine is CC(=NOCON=C(C)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine?
The InChIKey is IESRGEOYCVWPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-12(14-3-7-16(18)8-4-14)20-22-11-23-21-13(2)15-5-9-17(19)10-6-15/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine?
1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine has a molecular weight of 318.32 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)ethylideneamino]oxymethoxy]ethanimine is sourced from PubChem (CID 2827934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).