224323-51-7

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2

2.1.3 InChI Key

JFYQLZHULWIALT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N=C=O)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 224323-51-7

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

3. Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-

4. Mfcd23381074

5. Schembl2586326

6. Dtxsid601269132

7. 3-fluoro4-morpholinylphenylisocyanate

8. Zinc81119932

9. 3-fluoro-4-morpholinophenyl Isocyanate

10. 3-fluoro-4-morpholinylphenylisocyanate

11. Akos028108837

12. As-33228

13. 3-fluoro-4-(morpholinyl)phenyl Isocyanate

14. J3.527.271b

15. A856735

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁FN₂O₂
Molecular Weight	222.22 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	222.08045576 g/mol
Monoisotopic Mass	222.08045576 g/mol
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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