2-chloro-1-(4-chloro-2-fluorophenyl)ethanone

C8H5Cl2FO — CID 45081012

IUPAC2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(CCl)c1ccc(Cl)cc1F
InChIInChI=1S/C8H5Cl2FO/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyFYZHQRGIHWWQLB-UHFFFAOYSA-N
MW207.03 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone

2-chloro-1-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 45081012) has the molecular formula C8H5Cl2FO and a molecular weight of 207.03 g/mol. Its IUPAC name is 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
PubChem CID45081012
Molecular FormulaC8H5Cl2FO
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(CCl)c1ccc(Cl)cc1F
InChIInChI=1S/C8H5Cl2FO/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyFYZHQRGIHWWQLB-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726100
1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115515852
methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-one
CID 103023430
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone (CID 45081012) is 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone is O=C(CCl)c1ccc(Cl)cc1F.
What is the InChIKey of 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is FYZHQRGIHWWQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2.
What are the key properties of 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone?
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 207.03 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 45081012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).