5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one

C11H10F3NO2 — CID 66665364

IUPAC5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one
SMILESO=C1COCC(c2ccccc2F)(C(F)F)N1
InChIInChI=1S/C11H10F3NO2/c12-8-4-2-1-3-7(8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16)
InChIKeyGXUKLFZPEIIADE-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.43
Rot. Bonds2

About 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one

5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one (PubChem CID 66665364) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one
PubChem CID66665364
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one
SMILESO=C1COCC(c2ccccc2F)(C(F)F)N1
InChIInChI=1S/C11H10F3NO2/c12-8-4-2-1-3-7(8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16)
InChIKeyGXUKLFZPEIIADE-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one?
The IUPAC name of 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one (CID 66665364) is 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one.
What is the SMILES notation for 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one?
The canonical SMILES for 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one is O=C1COCC(c2ccccc2F)(C(F)F)N1.
What is the InChIKey of 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one?
The InChIKey is GXUKLFZPEIIADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-8-4-2-1-3-7(8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16).
What are the key properties of 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one?
5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one has a molecular weight of 245.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-5-(2-fluorophenyl)morpholin-3-one is sourced from PubChem (CID 66665364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).