2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one

C10H8F11NO3 — CID 3457661

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11NO3/c11-6(8(14,15)16,5(23)22-1-3-24-4-2-22)25-10(20,21)7(12,13)9(17,18)19/h1-4H2
InChIKeyRARVKFBGGANBMS-UHFFFAOYSA-N
MW399.16 g/mol
LogP2.88
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 3457661) has the molecular formula C10H8F11NO3 and a molecular weight of 399.16 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID3457661
Molecular FormulaC10H8F11NO3
Molecular Weight399.16 g/mol
Exact Mass399.03
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one
SMILESO=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F11NO3/c11-6(8(14,15)16,5(23)22-1-3-24-4-2-22)25-10(20,21)7(12,13)9(17,18)19/h1-4H2
InChIKeyRARVKFBGGANBMS-UHFFFAOYSA-N
XLogP2.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one (CID 3457661) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one is O=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is RARVKFBGGANBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11NO3/c11-6(8(14,15)16,5(23)22-1-3-24-4-2-22)25-10(20,21)7(12,13)9(17,18)19/h1-4H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 399.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3457661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).