2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone

C13H15ClFNO2 — CID 79077509

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-16-5-6-18-13(8-16)12(17)7-9-10(14)3-2-4-11(9)15/h2-4,13H,5-8H2,1H3
InChIKeyUBADZVUIDBWHBR-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.92
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (PubChem CID 79077509) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
PubChem CID79077509
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-16-5-6-18-13(8-16)12(17)7-9-10(14)3-2-4-11(9)15/h2-4,13H,5-8H2,1H3
InChIKeyUBADZVUIDBWHBR-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (CID 79077509) is 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone is CN1CCOC(C(=O)Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The InChIKey is UBADZVUIDBWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-16-5-6-18-13(8-16)12(17)7-9-10(14)3-2-4-11(9)15/h2-4,13H,5-8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone has a molecular weight of 271.72 g/mol, XLogP of 1.92, 3 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-methylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79077509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).