2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C15H19ClFNO2 — CID 79657907

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H19ClFNO2/c1-10(2)18-6-7-20-15(9-18)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10,15H,6-9H2,1-2H3
InChIKeyBLANOYUVZGGFOP-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79657907) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79657907
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)N1CCOC(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H19ClFNO2/c1-10(2)18-6-7-20-15(9-18)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10,15H,6-9H2,1-2H3
InChIKeyBLANOYUVZGGFOP-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16290795
3-(3-Fluorophenyl)-1-methyl-5-propan-2-yloxypiperidin-4-one
CID 20317048
3-(3-Fluorophenyl)-1-methyl-5-propoxypiperidin-4-one
CID 20317088
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-2-carboxylate
CID 54053610
1-(2-Chloro-5-fluorophenyl)-3-morpholin-4-ylpropan-1-one
CID 58514104
(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one
CID 66767489
(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one
CID 148691451
Ethyl 3-(2-chlorophenyl)-2-piperidin-1-ylpropanoate
CID 135012997
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9119388
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9119389
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9119826

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79657907) is 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)N1CCOC(C(=O)Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is BLANOYUVZGGFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-10(2)18-6-7-20-15(9-18)14(19)8-11-12(16)4-3-5-13(11)17/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 299.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79657907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).