2,2-difluoro-1-morpholin-4-ylpropan-1-one

C7H11F2NO2 — CID 58122781

IUPAC2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H11F2NO2/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3
InChIKeyGBBVDUYVEHTNQY-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds1

About 2,2-difluoro-1-morpholin-4-ylpropan-1-one

2,2-difluoro-1-morpholin-4-ylpropan-1-one (PubChem CID 58122781) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-ylpropan-1-one
PubChem CID58122781
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-1-morpholin-4-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C7H11F2NO2/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3
InChIKeyGBBVDUYVEHTNQY-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-morpholin-4-ylpropan-1-one (CID 58122781) is 2,2-difluoro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-ylpropan-1-one is CC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-ylpropan-1-one?
The InChIKey is GBBVDUYVEHTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-7(8,9)6(11)10-2-4-12-5-3-10/h2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-morpholin-4-ylpropan-1-one?
2,2-difluoro-1-morpholin-4-ylpropan-1-one has a molecular weight of 179.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 58122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).