1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone

C10H12FNO2 — CID 84667474

IUPAC1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ccc(F)c1O
InChIInChI=1S/C10H12FNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,12,14H,5H2,1-2H3
InChIKeyIIIXSZAFTZMFCB-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.24
Rot. Bonds3

About 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone

1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84667474) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
PubChem CID84667474
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)ccc(F)c1O
InChIInChI=1S/C10H12FNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,12,14H,5H2,1-2H3
InChIKeyIIIXSZAFTZMFCB-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone (CID 84667474) is 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)ccc(F)c1O.
What is the InChIKey of 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is IIIXSZAFTZMFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-3-4-7(11)10(14)9(6)8(13)5-12-2/h3-4,12,14H,5H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 197.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84667474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).