2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone

C8H5ClF2O2 — CID 130769171

IUPAC2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1ccc(O)c(F)c1F
InChIInChI=1S/C8H5ClF2O2/c9-3-6(13)4-1-2-5(12)8(11)7(4)10/h1-2,12H,3H2
InChIKeyHZNKLMJBPOGMAE-UHFFFAOYSA-N
MW206.57 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone

2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone (PubChem CID 130769171) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.57 g/mol. Its IUPAC name is 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
PubChem CID130769171
Molecular FormulaC8H5ClF2O2
Molecular Weight206.57 g/mol
Exact Mass205.99
IUPAC Name2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1ccc(O)c(F)c1F
InChIInChI=1S/C8H5ClF2O2/c9-3-6(13)4-1-2-5(12)8(11)7(4)10/h1-2,12H,3H2
InChIKeyHZNKLMJBPOGMAE-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-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-chloro-1-(2,3-difluoro-4-nitrophenyl)ethanone
CID 131580406
2-chloro-1-(4-hydroxy-2,3-dimethylphenyl)ethanone
CID 82266490
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
4-(2-chloroacetyl)-3-fluoro-2-iodobenzonitrile
CID 171021646
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
CID 130968300
3-(2-chloroacetyl)-6-hydroxy-2-(trifluoromethyl)benzonitrile
CID 171019260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone (CID 130769171) is 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone is O=C(CCl)c1ccc(O)c(F)c1F.
What is the InChIKey of 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone?
The InChIKey is HZNKLMJBPOGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-3-6(13)4-1-2-5(12)8(11)7(4)10/h1-2,12H,3H2.
What are the key properties of 2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone?
2-chloro-1-(2,3-difluoro-4-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-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 130769171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).