1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone

C12H13F2NO2 — CID 69422661

IUPAC1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOC(F)C1(F)c1ccccc1
InChIInChI=1S/C12H13F2NO2/c1-9(16)15-7-8-17-11(13)12(15,14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyFEHJBASYROCQSH-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.98
Rot. Bonds1

About 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone

1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone (PubChem CID 69422661) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone
PubChem CID69422661
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOC(F)C1(F)c1ccccc1
InChIInChI=1S/C12H13F2NO2/c1-9(16)15-7-8-17-11(13)12(15,14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyFEHJBASYROCQSH-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone (CID 69422661) is 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone is CC(=O)N1CCOC(F)C1(F)c1ccccc1.
What is the InChIKey of 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone?
The InChIKey is FEHJBASYROCQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-9(16)15-7-8-17-11(13)12(15,14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone?
1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone has a molecular weight of 241.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-3-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 69422661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).