2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone

C8H5ClF2O2 — CID 131169270

IUPAC2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1c(F)ccc(F)c1O
InChIInChI=1S/C8H5ClF2O2/c9-3-6(12)7-4(10)1-2-5(11)8(7)13/h1-2,13H,3H2
InChIKeyKGMQNBSJCVYMTD-UHFFFAOYSA-N
MW206.57 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone

2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone (PubChem CID 131169270) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.57 g/mol. Its IUPAC name is 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
PubChem CID131169270
Molecular FormulaC8H5ClF2O2
Molecular Weight206.57 g/mol
Exact Mass205.99
IUPAC Name2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
SMILESO=C(CCl)c1c(F)ccc(F)c1O
InChIInChI=1S/C8H5ClF2O2/c9-3-6(12)7-4(10)1-2-5(11)8(7)13/h1-2,13H,3H2
InChIKeyKGMQNBSJCVYMTD-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-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 117280590
2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
CID 131349757
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-chloro-1-(6-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 131480552
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
N-[2-(2-chloroacetyl)-3-fluorophenyl]-2,2,2-trifluoroacetamide
CID 135051238
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253
1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone (CID 131169270) is 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone is O=C(CCl)c1c(F)ccc(F)c1O.
What is the InChIKey of 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The InChIKey is KGMQNBSJCVYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-3-6(12)7-4(10)1-2-5(11)8(7)13/h1-2,13H,3H2.
What are the key properties of 2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
2-chloro-1-(3,6-difluoro-2-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-(3,6-difluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 131169270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).