2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

C12H13ClFNO2 — CID 51889846

IUPAC2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CCl)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H13ClFNO2/c13-7-12(16)15-5-6-17-11(8-15)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2/t11-/m0/s1
InChIKeyWYWAGVSOZFMDHC-NSHDSACASA-N
MW257.69 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 51889846) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID51889846
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CCl)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H13ClFNO2/c13-7-12(16)15-5-6-17-11(8-15)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2/t11-/m0/s1
InChIKeyWYWAGVSOZFMDHC-NSHDSACASA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
N-[3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]methanesulfonamide
CID 94023065
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 51889846) is 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is O=C(CCl)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is WYWAGVSOZFMDHC-NSHDSACASA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-7-12(16)15-5-6-17-11(8-15)9-1-3-10(14)4-2-9/h1-4,11H,5-8H2/t11-/m0/s1.
What are the key properties of 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 257.69 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 51889846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).