1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone

C10H12FNO2S — CID 10059700

IUPAC1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone
SMILESCNc1cc(F)ccc1C(=O)CS(C)=O
InChIInChI=1S/C10H12FNO2S/c1-12-9-5-7(11)3-4-8(9)10(13)6-15(2)14/h3-5,12H,6H2,1-2H3
InChIKeyCQBGMEVMWSNQLD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.43
Rot. Bonds4

About 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone

1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone (PubChem CID 10059700) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone
PubChem CID10059700
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone
SMILESCNc1cc(F)ccc1C(=O)CS(C)=O
InChIInChI=1S/C10H12FNO2S/c1-12-9-5-7(11)3-4-8(9)10(13)6-15(2)14/h3-5,12H,6H2,1-2H3
InChIKeyCQBGMEVMWSNQLD-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone?
The IUPAC name of 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone (CID 10059700) is 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone.
What is the SMILES notation for 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone?
The canonical SMILES for 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone is CNc1cc(F)ccc1C(=O)CS(C)=O.
What is the InChIKey of 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone?
The InChIKey is CQBGMEVMWSNQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-12-9-5-7(11)3-4-8(9)10(13)6-15(2)14/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone?
1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone has a molecular weight of 229.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(methylamino)phenyl]-2-methylsulfinylethanone is sourced from PubChem (CID 10059700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).