1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone

C17H18FNO2S — CID 71919483

IUPAC1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CC(C)OC(c2ccsc2)C1
InChIInChI=1S/C17H18FNO2S/c1-11-8-19(9-16(21-11)13-6-7-22-10-13)15-5-3-4-14(18)17(15)12(2)20/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyBYKZATKQQYIETI-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.06
Rot. Bonds3

About 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone

1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone (PubChem CID 71919483) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
PubChem CID71919483
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CC(C)OC(c2ccsc2)C1
InChIInChI=1S/C17H18FNO2S/c1-11-8-19(9-16(21-11)13-6-7-22-10-13)15-5-3-4-14(18)17(15)12(2)20/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyBYKZATKQQYIETI-UHFFFAOYSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone (CID 71919483) is 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone is CC(=O)c1c(F)cccc1N1CC(C)OC(c2ccsc2)C1.
What is the InChIKey of 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone?
The InChIKey is BYKZATKQQYIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-11-8-19(9-16(21-11)13-6-7-22-10-13)15-5-3-4-14(18)17(15)12(2)20/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone?
1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone is sourced from PubChem (CID 71919483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).