2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone

C8H5ClF2O2 — CID 130968300

IUPAC2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1cc(O)cc(F)c1F
InChIInChI=1S/C8H5ClF2O2/c9-3-7(13)5-1-4(12)2-6(10)8(5)11/h1-2,12H,3H2
InChIKeyQWYPXVGNWFEHEZ-UHFFFAOYSA-N
MW206.57 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone

2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone (PubChem CID 130968300) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.57 g/mol. Its IUPAC name is 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
PubChem CID130968300
Molecular FormulaC8H5ClF2O2
Molecular Weight206.57 g/mol
Exact Mass205.99
IUPAC Name2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1cc(O)cc(F)c1F
InChIInChI=1S/C8H5ClF2O2/c9-3-7(13)5-1-4(12)2-6(10)8(5)11/h1-2,12H,3H2
InChIKeyQWYPXVGNWFEHEZ-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.57
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroacetyl)-6-fluoro-4-hydroxybenzonitrile
CID 171020679
2-chloro-1-(3-fluoro-5-hydroxy-2-nitrophenyl)ethanone
CID 171021910
2,3-difluoro-5-hydroxybenzoic acid
CID 26596765
3,4,5-trifluorophenol
CID 2777943
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-(2-chloroacetyl)-5-fluoro-4-hydroxybenzonitrile
CID 171020892
2-chloro-1-(2-chloro-3-fluoro-5-iodophenyl)ethanone
CID 171004829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone (CID 130968300) is 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone is O=C(CCl)c1cc(O)cc(F)c1F.
What is the InChIKey of 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone?
The InChIKey is QWYPXVGNWFEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-3-7(13)5-1-4(12)2-6(10)8(5)11/h1-2,12H,3H2.
What are the key properties of 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone?
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone has a molecular weight of 206.57 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone is sourced from PubChem (CID 130968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).