2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one

C8H11F4NO3 — CID 2828738

IUPAC2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one
SMILESCOC(F)(C(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F4NO3/c1-15-7(9,8(10,11)12)6(14)13-2-4-16-5-3-13/h2-5H2,1H3
InChIKeyXDBSCXIXPYEQQE-UHFFFAOYSA-N
MW245.17 g/mol
LogP0.72
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one

2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one (PubChem CID 2828738) has the molecular formula C8H11F4NO3 and a molecular weight of 245.17 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one
PubChem CID2828738
Molecular FormulaC8H11F4NO3
Molecular Weight245.17 g/mol
Exact Mass245.07
IUPAC Name2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one
SMILESCOC(F)(C(=O)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H11F4NO3/c1-15-7(9,8(10,11)12)6(14)13-2-4-16-5-3-13/h2-5H2,1H3
InChIKeyXDBSCXIXPYEQQE-UHFFFAOYSA-N
XLogP0.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one (CID 2828738) is 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one is COC(F)(C(=O)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one?
The InChIKey is XDBSCXIXPYEQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO3/c1-15-7(9,8(10,11)12)6(14)13-2-4-16-5-3-13/h2-5H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one?
2,3,3,3-tetrafluoro-2-methoxy-1-morpholin-4-ylpropan-1-one has a molecular weight of 245.17 g/mol, XLogP of 0.72, 2 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-methoxy-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 2828738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).