2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone

C9H10FNO3 — CID 84668664

IUPAC2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN)c(O)cc1F
InChIInChI=1S/C9H10FNO3/c1-14-9-2-5(8(13)4-11)7(12)3-6(9)10/h2-3,12H,4,11H2,1H3
InChIKeyRZJPSKAGLZONRY-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone

2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone (PubChem CID 84668664) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone
PubChem CID84668664
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN)c(O)cc1F
InChIInChI=1S/C9H10FNO3/c1-14-9-2-5(8(13)4-11)7(12)3-6(9)10/h2-3,12H,4,11H2,1H3
InChIKeyRZJPSKAGLZONRY-UHFFFAOYSA-N
XLogP0.68
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone (CID 84668664) is 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone is COc1cc(C(=O)CN)c(O)cc1F.
What is the InChIKey of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone?
The InChIKey is RZJPSKAGLZONRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-14-9-2-5(8(13)4-11)7(12)3-6(9)10/h2-3,12H,4,11H2,1H3.
What are the key properties of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone?
2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone has a molecular weight of 199.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)ethanone is sourced from PubChem (CID 84668664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).