2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone

C12H13ClFNO2 — CID 114863278

IUPAC2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CNCCO1
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2
InChIKeyJFGHDLGIEDTQDW-UHFFFAOYSA-N
MW257.69 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone

2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone (PubChem CID 114863278) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone
PubChem CID114863278
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)C1CNCCO1
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2
InChIKeyJFGHDLGIEDTQDW-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 4330998
(2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholin-3-one
CID 126642240
(3-Fluorophenyl)-morpholin-2-ylmethanone
CID 84676633
2-[2-(4-Chloro-3-fluorophenyl)acetyl]-1,3-oxazolidine-2-carbaldehyde
CID 174623023
1-Morpholin-2-yl-4-(2,4,5-trifluorophenyl)butane-1,3-dione
CID 175094664
[2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8554063
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579168
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 8579169
[1-[2-(4-Fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 55315059
2-(2-Chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077509
2-(2-Chloro-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078416
2-(2-Chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657907

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone (CID 114863278) is 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone is O=C(Cc1ccc(Cl)cc1F)C1CNCCO1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone?
The InChIKey is JFGHDLGIEDTQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-9-2-1-8(10(14)6-9)5-11(16)12-7-15-3-4-17-12/h1-2,6,12,15H,3-5,7H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone?
2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone has a molecular weight of 257.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 114863278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).