2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one

C14H8F19NO6 — CID 576665

IUPAC2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one
SMILESO=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F19NO6/c15-6(7(16,17)18,5(35)34-1-3-36-4-2-34)37-8(19,20)9(21,22)38-10(23,24)11(25,26)39-12(27,28)13(29,30)40-14(31,32)33/h1-4H2
InChIKeyFXYXMEZXHAMBGJ-UHFFFAOYSA-N
MW647.18 g/mol
LogP5.22
Rot. Bonds11

About 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one

2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one (PubChem CID 576665) has the molecular formula C14H8F19NO6 and a molecular weight of 647.18 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one
PubChem CID576665
Molecular FormulaC14H8F19NO6
Molecular Weight647.18 g/mol
Exact Mass647.00
IUPAC Name2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one
SMILESO=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F19NO6/c15-6(7(16,17)18,5(35)34-1-3-36-4-2-34)37-8(19,20)9(21,22)38-10(23,24)11(25,26)39-12(27,28)13(29,30)40-14(31,32)33/h1-4H2
InChIKeyFXYXMEZXHAMBGJ-UHFFFAOYSA-N
XLogP5.22
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.18
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one (CID 576665) is 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one is O=C(N1CCOCC1)C(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one?
The InChIKey is FXYXMEZXHAMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F19NO6/c15-6(7(16,17)18,5(35)34-1-3-36-4-2-34)37-8(19,20)9(21,22)38-10(23,24)11(25,26)39-12(27,28)13(29,30)40-14(31,32)33/h1-4H2.
What are the key properties of 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one?
2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one has a molecular weight of 647.18 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]propan-1-one is sourced from PubChem (CID 576665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).