1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone

C13H16FNO3 — CID 175171832

IUPAC1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCO[C@@H](CO)C1
InChIInChI=1S/C13H16FNO3/c1-9(17)12-6-10(14)2-3-13(12)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyDIEAAWKMXDVSCW-LLVKDONJSA-N
MW253.27 g/mol
LogP1.23
Rot. Bonds3

About 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone

1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone (PubChem CID 175171832) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
PubChem CID175171832
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N1CCO[C@@H](CO)C1
InChIInChI=1S/C13H16FNO3/c1-9(17)12-6-10(14)2-3-13(12)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyDIEAAWKMXDVSCW-LLVKDONJSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
CID 66433243
methyl 2-[4-(2-carbamothioyl-4-fluorophenyl)morpholin-2-yl]acetate
CID 115534921
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 62132108
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluorophenyl]ethanone
CID 63150976

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone (CID 175171832) is 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone is CC(=O)c1cc(F)ccc1N1CCO[C@@H](CO)C1.
What is the InChIKey of 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The InChIKey is DIEAAWKMXDVSCW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(17)12-6-10(14)2-3-13(12)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone has a molecular weight of 253.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 175171832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).