2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one

C10H12FNO3 — CID 84679542

IUPAC2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)c(O)cc1F
InChIInChI=1S/C10H12FNO3/c1-5(12)10(14)6-3-9(15-2)7(11)4-8(6)13/h3-5,13H,12H2,1-2H3
InChIKeyYETAVKIMBRNJHX-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.07
Rot. Bonds3

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

2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one (PubChem CID 84679542) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one
PubChem CID84679542
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)c(O)cc1F
InChIInChI=1S/C10H12FNO3/c1-5(12)10(14)6-3-9(15-2)7(11)4-8(6)13/h3-5,13H,12H2,1-2H3
InChIKeyYETAVKIMBRNJHX-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.07
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)propan-1-one?
The IUPAC name of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one (CID 84679542) is 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one is COc1cc(C(=O)C(C)N)c(O)cc1F.
What is the InChIKey of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one?
The InChIKey is YETAVKIMBRNJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5(12)10(14)6-3-9(15-2)7(11)4-8(6)13/h3-5,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one?
2-amino-1-(4-fluoro-2-hydroxy-5-methoxyphenyl)propan-1-one has a molecular weight of 213.21 g/mol, XLogP of 1.07, 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)propan-1-one is sourced from PubChem (CID 84679542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).