2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one

C8H8F7NO2 — CID 544635

IUPAC2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO2/c9-6(10,7(11,12)8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2
InChIKeyMKGSIZTXMDXSMT-UHFFFAOYSA-N
MW283.14 g/mol
LogP1.68
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one

2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one (PubChem CID 544635) has the molecular formula C8H8F7NO2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one
PubChem CID544635
Molecular FormulaC8H8F7NO2
Molecular Weight283.14 g/mol
Exact Mass283.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO2/c9-6(10,7(11,12)8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2
InChIKeyMKGSIZTXMDXSMT-UHFFFAOYSA-N
XLogP1.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 51.68
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 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one (CID 544635) is 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one?
The InChIKey is MKGSIZTXMDXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO2/c9-6(10,7(11,12)8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one?
2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one has a molecular weight of 283.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).