2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone

C9H7Cl2FO2 — CID 171007194

IUPAC2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1c(Cl)cc(F)cc1C(=O)CCl
InChIInChI=1S/C9H7Cl2FO2/c1-14-9-6(8(13)4-10)2-5(12)3-7(9)11/h2-3H,4H2,1H3
InChIKeyQWLBSHYRQOHJQG-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone

2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 171007194) has the molecular formula C9H7Cl2FO2 and a molecular weight of 237.06 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone
PubChem CID171007194
Molecular FormulaC9H7Cl2FO2
Molecular Weight237.06 g/mol
Exact Mass235.98
IUPAC Name2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1c(Cl)cc(F)cc1C(=O)CCl
InChIInChI=1S/C9H7Cl2FO2/c1-14-9-6(8(13)4-10)2-5(12)3-7(9)11/h2-3H,4H2,1H3
InChIKeyQWLBSHYRQOHJQG-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone
CID 171020272
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
1-(3-amino-5-fluoro-2-methoxyphenyl)-2-chloroethanone
CID 171018548
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923
3-(2-chloroacetyl)-5-fluoro-4-methoxybenzonitrile
CID 171022329
(R)-N-[1-(3-chloro-5-fluoro-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 165030211
2-chloro-1-(2-chloro-4-fluoro-6-methylphenyl)ethanone
CID 130951493
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
2-bromo-1-(5-fluoro-3-iodo-2-methoxyphenyl)ethanone
CID 171022554
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone (CID 171007194) is 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone is COc1c(Cl)cc(F)cc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is QWLBSHYRQOHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO2/c1-14-9-6(8(13)4-10)2-5(12)3-7(9)11/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone?
2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 237.06 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 171007194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).