1-(2-chloroethylsulfonyl)-2,4-difluorobenzene

C8H7ClF2O2S — CID 43345431

IUPAC1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
SMILESO=S(=O)(CCCl)c1ccc(F)cc1F
InChIInChI=1S/C8H7ClF2O2S/c9-3-4-14(12,13)8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKeyKEHZOLZIGWGBKL-UHFFFAOYSA-N
MW240.66 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene

1-(2-chloroethylsulfonyl)-2,4-difluorobenzene (PubChem CID 43345431) has the molecular formula C8H7ClF2O2S and a molecular weight of 240.66 g/mol. Its IUPAC name is 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
PubChem CID43345431
Molecular FormulaC8H7ClF2O2S
Molecular Weight240.66 g/mol
Exact Mass239.98
IUPAC Name1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
SMILESO=S(=O)(CCCl)c1ccc(F)cc1F
InChIInChI=1S/C8H7ClF2O2S/c9-3-4-14(12,13)8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2
InChIKeyKEHZOLZIGWGBKL-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 51.98
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

1-(4-bromobutylsulfonyl)-2,4-difluorobenzene
CID 43167546
N-[2-(2,4-difluorophenyl)sulfonylethyl]-2-methylpropan-2-amine
CID 64646246
4-(2,4-difluorophenyl)sulfonyl-2,2-dimethylbutanenitrile
CID 65262832
3-(2,4-difluorophenyl)sulfonyl-N-ethylpropan-1-amine
CID 64645454
2-(6-chlorohexylsulfonyl)-1,4-difluorobenzene
CID 62227813
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
6-(2,4-difluorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714748
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2,4-difluorobenzenesulfonic acid;hydroiodide
CID 172866056
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene?
The IUPAC name of 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene (CID 43345431) is 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene is O=S(=O)(CCCl)c1ccc(F)cc1F.
What is the InChIKey of 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene?
The InChIKey is KEHZOLZIGWGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2S/c9-3-4-14(12,13)8-2-1-6(10)5-7(8)11/h1-2,5H,3-4H2.
What are the key properties of 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene?
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene has a molecular weight of 240.66 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethylsulfonyl)-2,4-difluorobenzene is sourced from PubChem (CID 43345431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).