2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one

C11H8F13NO2 — CID 4668344

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F13NO2/c12-6(13,5(26)25-1-3-27-4-2-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2
InChIKeyHYKLUXGMNPOIOG-UHFFFAOYSA-N
MW433.16 g/mol
LogP3.58
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one (PubChem CID 4668344) has the molecular formula C11H8F13NO2 and a molecular weight of 433.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one
PubChem CID4668344
Molecular FormulaC11H8F13NO2
Molecular Weight433.16 g/mol
Exact Mass433.03
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F13NO2/c12-6(13,5(26)25-1-3-27-4-2-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2
InChIKeyHYKLUXGMNPOIOG-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.16
LogP ≤ 53.58
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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one (CID 4668344) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one?
The InChIKey is HYKLUXGMNPOIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F13NO2/c12-6(13,5(26)25-1-3-27-4-2-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one has a molecular weight of 433.16 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 4668344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).