4-(2-fluoro-6-isocyanatophenyl)morpholine

C11H11FN2O2 — CID 22246705

IUPAC4-(2-fluoro-6-isocyanatophenyl)morpholine
SMILESO=C=Nc1cccc(F)c1N1CCOCC1
InChIInChI=1S/C11H11FN2O2/c12-9-2-1-3-10(13-8-15)11(9)14-4-6-16-7-5-14/h1-3H,4-7H2
InChIKeyXXKMDGDEHHHPSW-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-fluoro-6-isocyanatophenyl)morpholine

4-(2-fluoro-6-isocyanatophenyl)morpholine (PubChem CID 22246705) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-(2-fluoro-6-isocyanatophenyl)morpholine.

Molecular Properties

Compound Name4-(2-fluoro-6-isocyanatophenyl)morpholine
PubChem CID22246705
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name4-(2-fluoro-6-isocyanatophenyl)morpholine
SMILESO=C=Nc1cccc(F)c1N1CCOCC1
InChIInChI=1S/C11H11FN2O2/c12-9-2-1-3-10(13-8-15)11(9)14-4-6-16-7-5-14/h1-3H,4-7H2
InChIKeyXXKMDGDEHHHPSW-UHFFFAOYSA-N
XLogP1.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-isocyanatophenyl)morpholine?
The IUPAC name of 4-(2-fluoro-6-isocyanatophenyl)morpholine (CID 22246705) is 4-(2-fluoro-6-isocyanatophenyl)morpholine.
What is the SMILES notation for 4-(2-fluoro-6-isocyanatophenyl)morpholine?
The canonical SMILES for 4-(2-fluoro-6-isocyanatophenyl)morpholine is O=C=Nc1cccc(F)c1N1CCOCC1.
What is the InChIKey of 4-(2-fluoro-6-isocyanatophenyl)morpholine?
The InChIKey is XXKMDGDEHHHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-2-1-3-10(13-8-15)11(9)14-4-6-16-7-5-14/h1-3H,4-7H2.
What are the key properties of 4-(2-fluoro-6-isocyanatophenyl)morpholine?
4-(2-fluoro-6-isocyanatophenyl)morpholine has a molecular weight of 222.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-isocyanatophenyl)morpholine is sourced from PubChem (CID 22246705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).