2-fluoro-6-(morpholin-4-yliminomethyl)phenol

C11H13FN2O2 — CID 175461313

IUPAC2-fluoro-6-(morpholin-4-yliminomethyl)phenol
SMILESOc1c(F)cccc1C=NN1CCOCC1
InChIInChI=1S/C11H13FN2O2/c12-10-3-1-2-9(11(10)15)8-13-14-4-6-16-7-5-14/h1-3,8,15H,4-7H2
InChIKeyYNZMZUJAAMTUAW-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.20
Rot. Bonds2

About 2-fluoro-6-(morpholin-4-yliminomethyl)phenol

2-fluoro-6-(morpholin-4-yliminomethyl)phenol (PubChem CID 175461313) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-fluoro-6-(morpholin-4-yliminomethyl)phenol.

Molecular Properties

Compound Name2-fluoro-6-(morpholin-4-yliminomethyl)phenol
PubChem CID175461313
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name2-fluoro-6-(morpholin-4-yliminomethyl)phenol
SMILESOc1c(F)cccc1C=NN1CCOCC1
InChIInChI=1S/C11H13FN2O2/c12-10-3-1-2-9(11(10)15)8-13-14-4-6-16-7-5-14/h1-3,8,15H,4-7H2
InChIKeyYNZMZUJAAMTUAW-UHFFFAOYSA-N
XLogP1.20
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(morpholin-4-yliminomethyl)phenol?
The IUPAC name of 2-fluoro-6-(morpholin-4-yliminomethyl)phenol (CID 175461313) is 2-fluoro-6-(morpholin-4-yliminomethyl)phenol.
What is the SMILES notation for 2-fluoro-6-(morpholin-4-yliminomethyl)phenol?
The canonical SMILES for 2-fluoro-6-(morpholin-4-yliminomethyl)phenol is Oc1c(F)cccc1C=NN1CCOCC1.
What is the InChIKey of 2-fluoro-6-(morpholin-4-yliminomethyl)phenol?
The InChIKey is YNZMZUJAAMTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-3-1-2-9(11(10)15)8-13-14-4-6-16-7-5-14/h1-3,8,15H,4-7H2.
What are the key properties of 2-fluoro-6-(morpholin-4-yliminomethyl)phenol?
2-fluoro-6-(morpholin-4-yliminomethyl)phenol has a molecular weight of 224.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(morpholin-4-yliminomethyl)phenol is sourced from PubChem (CID 175461313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).