(5-fluoro-2-morpholin-4-ylphenyl)methanimine

C11H13FN2O — CID 143271404

IUPAC(5-fluoro-2-morpholin-4-ylphenyl)methanimine
SMILES[H]/N=C/c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H13FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7-8,13H,3-6H2/b13-8+
InChIKeyMHJIWBIAAHNZNW-MDWZMJQESA-N
MW208.24 g/mol
LogP1.66
Rot. Bonds2

About (5-fluoro-2-morpholin-4-ylphenyl)methanimine

(5-fluoro-2-morpholin-4-ylphenyl)methanimine (PubChem CID 143271404) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (5-fluoro-2-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name(5-fluoro-2-morpholin-4-ylphenyl)methanimine
PubChem CID143271404
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(5-fluoro-2-morpholin-4-ylphenyl)methanimine
SMILES[H]/N=C/c1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H13FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7-8,13H,3-6H2/b13-8+
InChIKeyMHJIWBIAAHNZNW-MDWZMJQESA-N
XLogP1.66
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-morpholin-4-ylphenyl)methanimine?
The IUPAC name of (5-fluoro-2-morpholin-4-ylphenyl)methanimine (CID 143271404) is (5-fluoro-2-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for (5-fluoro-2-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for (5-fluoro-2-morpholin-4-ylphenyl)methanimine is [H]/N=C/c1cc(F)ccc1N1CCOCC1.
What is the InChIKey of (5-fluoro-2-morpholin-4-ylphenyl)methanimine?
The InChIKey is MHJIWBIAAHNZNW-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13FN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7-8,13H,3-6H2/b13-8+.
What are the key properties of (5-fluoro-2-morpholin-4-ylphenyl)methanimine?
(5-fluoro-2-morpholin-4-ylphenyl)methanimine has a molecular weight of 208.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 143271404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).