6-(difluoromethyl)morpholin-3-one

C5H7F2NO2 — CID 178200561

IUPAC6-(difluoromethyl)morpholin-3-one
SMILESO=C1COC(C(F)F)CN1
InChIInChI=1S/C5H7F2NO2/c6-5(7)3-1-8-4(9)2-10-3/h3,5H,1-2H2,(H,8,9)
InChIKeyXOFVRASOAJZLOA-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.23
Rot. Bonds1

About 6-(difluoromethyl)morpholin-3-one

6-(difluoromethyl)morpholin-3-one (PubChem CID 178200561) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 6-(difluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name6-(difluoromethyl)morpholin-3-one
PubChem CID178200561
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name6-(difluoromethyl)morpholin-3-one
SMILESO=C1COC(C(F)F)CN1
InChIInChI=1S/C5H7F2NO2/c6-5(7)3-1-8-4(9)2-10-3/h3,5H,1-2H2,(H,8,9)
InChIKeyXOFVRASOAJZLOA-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)morpholin-3-one?
The IUPAC name of 6-(difluoromethyl)morpholin-3-one (CID 178200561) is 6-(difluoromethyl)morpholin-3-one.
What is the SMILES notation for 6-(difluoromethyl)morpholin-3-one?
The canonical SMILES for 6-(difluoromethyl)morpholin-3-one is O=C1COC(C(F)F)CN1.
What is the InChIKey of 6-(difluoromethyl)morpholin-3-one?
The InChIKey is XOFVRASOAJZLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)3-1-8-4(9)2-10-3/h3,5H,1-2H2,(H,8,9).
What are the key properties of 6-(difluoromethyl)morpholin-3-one?
6-(difluoromethyl)morpholin-3-one has a molecular weight of 151.11 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)morpholin-3-one is sourced from PubChem (CID 178200561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).