2,2-diiodomorpholine

C4H7I2NO — CID 141174185

IUPAC2,2-diiodomorpholine
SMILESIC1(I)CNCCO1
InChIInChI=1S/C4H7I2NO/c5-4(6)3-7-1-2-8-4/h7H,1-3H2
InChIKeyAUUSQUXDCRYRHJ-UHFFFAOYSA-N
MW338.91 g/mol
LogP1.13
Rot. Bonds

About 2,2-diiodomorpholine

2,2-diiodomorpholine (PubChem CID 141174185) has the molecular formula C4H7I2NO and a molecular weight of 338.91 g/mol. Its IUPAC name is 2,2-diiodomorpholine.

Molecular Properties

Compound Name2,2-diiodomorpholine
PubChem CID141174185
Molecular FormulaC4H7I2NO
Molecular Weight338.91 g/mol
Exact Mass338.86
IUPAC Name2,2-diiodomorpholine
SMILESIC1(I)CNCCO1
InChIInChI=1S/C4H7I2NO/c5-4(6)3-7-1-2-8-4/h7H,1-3H2
InChIKeyAUUSQUXDCRYRHJ-UHFFFAOYSA-N
XLogP1.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Morpholine
CID 8083
Morpholine hydroiodide
CID 12196071
Morpholinium
CID 5020115
Morpholine-2,2,3,3,5,5,6,6-d8
CID 45785233
Morphi
CID 3017107
(4-~2~H)Morpholine
CID 12196069
Hydron;morpholine
CID 22759563
Morpholin-4-ium iodide
CID 102296800
Morpholine-d4
CID 129723342
Morpholine-D9
CID 49849341
Morpholin-6-ide
CID 154722341
(~13~C_4_)Morpholine
CID 49849337

Frequently Asked Questions

What is the IUPAC name of 2,2-diiodomorpholine?
The IUPAC name of 2,2-diiodomorpholine (CID 141174185) is 2,2-diiodomorpholine.
What is the SMILES notation for 2,2-diiodomorpholine?
The canonical SMILES for 2,2-diiodomorpholine is IC1(I)CNCCO1.
What is the InChIKey of 2,2-diiodomorpholine?
The InChIKey is AUUSQUXDCRYRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7I2NO/c5-4(6)3-7-1-2-8-4/h7H,1-3H2.
What are the key properties of 2,2-diiodomorpholine?
2,2-diiodomorpholine has a molecular weight of 338.91 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diiodomorpholine is sourced from PubChem (CID 141174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).