2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one

C7H8F5NO2 — CID 532139

IUPAC2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9,7(10,11)12)5(14)13-1-3-15-4-2-13/h1-4H2
InChIKeyMCMFICISKZFNCY-UHFFFAOYSA-N
MW233.14 g/mol
LogP1.04
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one

2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one (PubChem CID 532139) has the molecular formula C7H8F5NO2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one
PubChem CID532139
Molecular FormulaC7H8F5NO2
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9,7(10,11)12)5(14)13-1-3-15-4-2-13/h1-4H2
InChIKeyMCMFICISKZFNCY-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one (CID 532139) is 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one?
The InChIKey is MCMFICISKZFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO2/c8-6(9,7(10,11)12)5(14)13-1-3-15-4-2-13/h1-4H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one?
2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one has a molecular weight of 233.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 532139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).