1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C15H19F2NO3 — CID 114777430

IUPAC1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cc(F)ccc2F)CC(CO)O1
InChIInChI=1S/C15H19F2NO3/c1-15(2)9-18(6-11(8-19)21-15)7-14(20)12-5-10(16)3-4-13(12)17/h3-5,11,19H,6-9H2,1-2H3
InChIKeyXSMXMVKORAIIEE-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.62
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 114777430) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID114777430
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cc(F)ccc2F)CC(CO)O1
InChIInChI=1S/C15H19F2NO3/c1-15(2)9-18(6-11(8-19)21-15)7-14(20)12-5-10(16)3-4-13(12)17/h3-5,11,19H,6-9H2,1-2H3
InChIKeyXSMXMVKORAIIEE-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propiophenone, 4'-fluoro-3-morpholino-, hydrochloride
CID 200801
1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-butan-1-one
CID 29734
1-(4-Fluorophenyl)-4-(morpholin-4-yl)butan-1-one
CID 19637
1-(4-Fluorophenyl)-3-morpholin-4-ylpropan-1-one
CID 200802
Ethanone, 2-(4-morpholinyl)-1-phenyl-
CID 409383
Butyrophenone, 4'-fluoro-4-(4-hydroxypiperidino)-, hydrochloride
CID 29733
1-(2-Methylphenyl)-2-(morpholin-4-yl)ethan-1-one
CID 43794383
(2,5-Difluorophenyl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 53523403
Ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetate
CID 53524580
(2,5-Difluorophenyl)-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanone
CID 53527780
(2,5-Difluorophenyl)-[1-(2-ethoxyethyl)piperidin-4-yl]methanone
CID 53527943
Morpholinopropiophenone
CID 2802217

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 114777430) is 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CC1(C)CN(CC(=O)c2cc(F)ccc2F)CC(CO)O1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is XSMXMVKORAIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-15(2)9-18(6-11(8-19)21-15)7-14(20)12-5-10(16)3-4-13(12)17/h3-5,11,19H,6-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 299.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 114777430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).