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

C8H8F7NO3 — CID 2195133

IUPAC2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C8H8F7NO3/c9-6(10,7(11,12)19-8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2
InChIKeyIKCOHULDBGRMSR-UHFFFAOYSA-N
MW299.14 g/mol
LogP1.61
Rot. Bonds3

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

2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one (PubChem CID 2195133) has the molecular formula C8H8F7NO3 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one
PubChem CID2195133
Molecular FormulaC8H8F7NO3
Molecular Weight299.14 g/mol
Exact Mass299.04
IUPAC Name2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C8H8F7NO3/c9-6(10,7(11,12)19-8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2
InChIKeyIKCOHULDBGRMSR-UHFFFAOYSA-N
XLogP1.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 51.61
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 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one (CID 2195133) is 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one is O=C(N1CCOCC1)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one?
The InChIKey is IKCOHULDBGRMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO3/c9-6(10,7(11,12)19-8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one?
2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one has a molecular weight of 299.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one is sourced from PubChem (CID 2195133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).