1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone

C14H17F2NO2 — CID 116685375

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCc1cc(F)c(C(=O)CC2COCC(C)N2)cc1F
InChIInChI=1S/C14H17F2NO2/c1-8-3-13(16)11(5-12(8)15)14(18)4-10-7-19-6-9(2)17-10/h3,5,9-10,17H,4,6-7H2,1-2H3
InChIKeyKABZMWMQXDMXJS-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.22
Rot. Bonds3

About 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone

1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone (PubChem CID 116685375) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
PubChem CID116685375
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCc1cc(F)c(C(=O)CC2COCC(C)N2)cc1F
InChIInChI=1S/C14H17F2NO2/c1-8-3-13(16)11(5-12(8)15)14(18)4-10-7-19-6-9(2)17-10/h3,5,9-10,17H,4,6-7H2,1-2H3
InChIKeyKABZMWMQXDMXJS-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone (CID 116685375) is 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone is Cc1cc(F)c(C(=O)CC2COCC(C)N2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The InChIKey is KABZMWMQXDMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-8-3-13(16)11(5-12(8)15)14(18)4-10-7-19-6-9(2)17-10/h3,5,9-10,17H,4,6-7H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone?
1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone has a molecular weight of 269.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-(5-methylmorpholin-3-yl)ethanone is sourced from PubChem (CID 116685375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).