1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone

C14H17F2NO2 — CID 61432852

IUPAC1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO2/c1-14(2)9-19-6-5-17(14)8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyVNXBXBNFBAQLES-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone

1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone (PubChem CID 61432852) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
PubChem CID61432852
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2NO2/c1-14(2)9-19-6-5-17(14)8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyVNXBXBNFBAQLES-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone (CID 61432852) is 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone is CC1(C)COCCN1CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone?
The InChIKey is VNXBXBNFBAQLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(2)9-19-6-5-17(14)8-13(18)11-7-10(15)3-4-12(11)16/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone?
1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone has a molecular weight of 269.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 61432852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).