1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone

C13H15F2NO2 — CID 43794572

IUPAC1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(F)ccc2F)CCO1
InChIInChI=1S/C13H15F2NO2/c1-9-7-16(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeySUBDRKJVIMPSOT-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.87
Rot. Bonds3

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

1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone (PubChem CID 43794572) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
PubChem CID43794572
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2cc(F)ccc2F)CCO1
InChIInChI=1S/C13H15F2NO2/c1-9-7-16(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeySUBDRKJVIMPSOT-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973
1-(2,5-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960397
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055268
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
CID 62053520
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
1-(4-bromophenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 92858348
1-(2,6-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 55153158
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone (CID 43794572) is 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2cc(F)ccc2F)CCO1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is SUBDRKJVIMPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-9-7-16(4-5-18-9)8-13(17)11-6-10(14)2-3-12(11)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone?
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 255.26 g/mol, XLogP of 1.87, 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-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43794572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).