5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one

C13H14F3NO2 — CID 66665803

IUPAC5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(c2ccccc2F)(C(F)F)NC1=O
InChIInChI=1S/C13H14F3NO2/c1-12(2)11(18)17-13(7-19-12,10(15)16)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyYVUWYOYUAQBXNF-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.21
Rot. Bonds2

About 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one

5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one (PubChem CID 66665803) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one
PubChem CID66665803
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(c2ccccc2F)(C(F)F)NC1=O
InChIInChI=1S/C13H14F3NO2/c1-12(2)11(18)17-13(7-19-12,10(15)16)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyYVUWYOYUAQBXNF-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.21
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)-2,2-dimethylmorpholin-3-one?
The IUPAC name of 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one (CID 66665803) is 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one.
What is the SMILES notation for 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one?
The canonical SMILES for 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one is CC1(C)OCC(c2ccccc2F)(C(F)F)NC1=O.
What is the InChIKey of 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one?
The InChIKey is YVUWYOYUAQBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-12(2)11(18)17-13(7-19-12,10(15)16)8-5-3-4-6-9(8)14/h3-6,10H,7H2,1-2H3,(H,17,18).
What are the key properties of 5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one?
5-(difluoromethyl)-5-(2-fluorophenyl)-2,2-dimethylmorpholin-3-one has a molecular weight of 273.25 g/mol, XLogP of 2.21, 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)-2,2-dimethylmorpholin-3-one is sourced from PubChem (CID 66665803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).