2,2-difluoro-2-iodo-1-morpholin-4-ylethanone

C6H8F2INO2 — CID 46914073

IUPAC2,2-difluoro-2-iodo-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)I
InChIInChI=1S/C6H8F2INO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKeyKYULVQFDXAHBGX-UHFFFAOYSA-N
MW291.04 g/mol
LogP0.87
Rot. Bonds1

About 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone

2,2-difluoro-2-iodo-1-morpholin-4-ylethanone (PubChem CID 46914073) has the molecular formula C6H8F2INO2 and a molecular weight of 291.04 g/mol. Its IUPAC name is 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-iodo-1-morpholin-4-ylethanone
PubChem CID46914073
Molecular FormulaC6H8F2INO2
Molecular Weight291.04 g/mol
Exact Mass290.96
IUPAC Name2,2-difluoro-2-iodo-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)I
InChIInChI=1S/C6H8F2INO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKeyKYULVQFDXAHBGX-UHFFFAOYSA-N
XLogP0.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.04
LogP ≤ 50.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone?
The IUPAC name of 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone (CID 46914073) is 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone.
What is the SMILES notation for 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone?
The canonical SMILES for 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone is O=C(N1CCOCC1)C(F)(F)I.
What is the InChIKey of 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone?
The InChIKey is KYULVQFDXAHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2INO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2.
What are the key properties of 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone?
2,2-difluoro-2-iodo-1-morpholin-4-ylethanone has a molecular weight of 291.04 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-iodo-1-morpholin-4-ylethanone is sourced from PubChem (CID 46914073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).