1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone

C13H15F2NO4 — CID 136545989

IUPAC1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCOC(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-10-3-1-9(2-4-10)11-7-16(5-6-19-11)12(18)8-17/h1-4,11,13,17H,5-8H2
InChIKeyJKDJJFHTKUHTKG-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.18
Rot. Bonds4

About 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone

1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone (PubChem CID 136545989) has the molecular formula C13H15F2NO4 and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
PubChem CID136545989
Molecular FormulaC13H15F2NO4
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCOC(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C13H15F2NO4/c14-13(15)20-10-3-1-9(2-4-10)11-7-16(5-6-19-11)12(18)8-17/h1-4,11,13,17H,5-8H2
InChIKeyJKDJJFHTKUHTKG-UHFFFAOYSA-N
XLogP1.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
2-[4-[[1-[4-(difluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71087967
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone (CID 136545989) is 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone is O=C(CO)N1CCOC(c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone?
The InChIKey is JKDJJFHTKUHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4/c14-13(15)20-10-3-1-9(2-4-10)11-7-16(5-6-19-11)12(18)8-17/h1-4,11,13,17H,5-8H2.
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone?
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone has a molecular weight of 287.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone is sourced from PubChem (CID 136545989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).