2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one

C9H9F2NO2 — CID 84669836

IUPAC2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-4(12)9(14)7-6(13)3-2-5(10)8(7)11/h2-4,13H,12H2,1H3
InChIKeyMHQROSXRZTXDKZ-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one

2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one (PubChem CID 84669836) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
PubChem CID84669836
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H9F2NO2/c1-4(12)9(14)7-6(13)3-2-5(10)8(7)11/h2-4,13H,12H2,1H3
InChIKeyMHQROSXRZTXDKZ-UHFFFAOYSA-N
XLogP1.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
CID 84683223
2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 84776071
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
CID 84689622
3,4-difluoro-2-propan-2-ylphenol
CID 130384199
2-amino-1-(3-chloro-4,5-difluoro-2-hydroxyphenyl)propan-1-one
CID 84797727
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
2-amino-1-(3-bromo-4-fluoro-2-methylphenyl)propan-1-one
CID 84806362
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one (CID 84669836) is 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one is CC(N)C(=O)c1c(O)ccc(F)c1F.
What is the InChIKey of 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one?
The InChIKey is MHQROSXRZTXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-4(12)9(14)7-6(13)3-2-5(10)8(7)11/h2-4,13H,12H2,1H3.
What are the key properties of 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one?
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one has a molecular weight of 201.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 84669836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).