1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

C17H13F5N2O — CID 2370535

IUPAC1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/N=C/c2ccc(N3CCOCC3)cc2)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-12-13(19)15(21)17(16(22)14(12)20)23-9-10-1-3-11(4-2-10)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+
InChIKeyWWFWLEAVGMWTAI-NUGSKGIGSA-N
MW356.29 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine

1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 2370535) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID2370535
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC Name1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/N=C/c2ccc(N3CCOCC3)cc2)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-12-13(19)15(21)17(16(22)14(12)20)23-9-10-1-3-11(4-2-10)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+
InChIKeyWWFWLEAVGMWTAI-NUGSKGIGSA-N
XLogP3.97
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 2370535) is 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1c(F)c(F)c(/N=C/c2ccc(N3CCOCC3)cc2)c(F)c1F.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is WWFWLEAVGMWTAI-NUGSKGIGSA-N. The full InChI is InChI=1S/C17H13F5N2O/c18-12-13(19)15(21)17(16(22)14(12)20)23-9-10-1-3-11(4-2-10)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine?
1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 356.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 2370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).