2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone

C8H7ClFNO2 — CID 84671894

IUPAC2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone
SMILESNCC(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H7ClFNO2/c9-6-2-4(10)1-5(8(6)13)7(12)3-11/h1-2,13H,3,11H2
InChIKeyONCDZJRNVXIZBU-UHFFFAOYSA-N
MW203.60 g/mol
LogP1.33
Rot. Bonds2

About 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone

2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone (PubChem CID 84671894) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone
PubChem CID84671894
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone
SMILESNCC(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C8H7ClFNO2/c9-6-2-4(10)1-5(8(6)13)7(12)3-11/h1-2,13H,3,11H2
InChIKeyONCDZJRNVXIZBU-UHFFFAOYSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone (CID 84671894) is 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone is NCC(=O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone?
The InChIKey is ONCDZJRNVXIZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c9-6-2-4(10)1-5(8(6)13)7(12)3-11/h1-2,13H,3,11H2.
What are the key properties of 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone?
2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone has a molecular weight of 203.60 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-5-fluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 84671894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).