2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone

C12H13F2NO3 — CID 17190869

IUPAC2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C12H13F2NO3/c13-9-1-2-11(10(14)7-9)18-8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyJWZVBRXAVRIMJR-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.20
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone

2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone (PubChem CID 17190869) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
PubChem CID17190869
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C12H13F2NO3/c13-9-1-2-11(10(14)7-9)18-8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyJWZVBRXAVRIMJR-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
CID 63368114
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-(2,4-difluorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727182
2-(2,4-difluorophenoxy)-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124614028
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone (CID 17190869) is 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone is O=C(COc1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone?
The InChIKey is JWZVBRXAVRIMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-9-1-2-11(10(14)7-9)18-8-12(16)15-3-5-17-6-4-15/h1-2,7H,3-6,8H2.
What are the key properties of 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone?
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone has a molecular weight of 257.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 17190869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).