2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone

C9H9ClFNO2 — CID 84683211

IUPAC2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCc1c(Cl)cc(F)c(O)c1C(=O)CN
InChIInChI=1S/C9H9ClFNO2/c1-4-5(10)2-6(11)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3
InChIKeyZDVMLOMCCQHJKL-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.63
Rot. Bonds2

About 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone

2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone (PubChem CID 84683211) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone
PubChem CID84683211
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCc1c(Cl)cc(F)c(O)c1C(=O)CN
InChIInChI=1S/C9H9ClFNO2/c1-4-5(10)2-6(11)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3
InChIKeyZDVMLOMCCQHJKL-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone (CID 84683211) is 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone is Cc1c(Cl)cc(F)c(O)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The InChIKey is ZDVMLOMCCQHJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-4-5(10)2-6(11)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone?
2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone has a molecular weight of 217.63 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)ethanone is sourced from PubChem (CID 84683211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).