2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one

C9H9F2NO2 — CID 84776071

IUPAC2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-4(12)9(14)8-6(11)2-5(10)3-7(8)13/h2-4,13H,12H2,1H3
InChIKeyGTRZZWZVEJGKQR-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one

2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one (PubChem CID 84776071) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
PubChem CID84776071
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-4(12)9(14)8-6(11)2-5(10)3-7(8)13/h2-4,13H,12H2,1H3
InChIKeyGTRZZWZVEJGKQR-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

(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
2-ethanehydrazonoyl-3,5-difluorophenol
CID 137265692
2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
CID 84683223
3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
CID 43160551
2-amino-1-(2,5-difluoro-4-pyridinyl)propan-1-one
CID 84660437
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one (CID 84776071) is 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one is CC(N)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one?
The InChIKey is GTRZZWZVEJGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-4(12)9(14)8-6(11)2-5(10)3-7(8)13/h2-4,13H,12H2,1H3.
What are the key properties of 2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one?
2-amino-1-(2,4-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-(2,4-difluoro-6-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 84776071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).