2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

C8H4Cl3F3O3S — CID 43134434

IUPAC2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C8H4Cl3F3O3S/c9-4-2-7(18(11,15)16)5(10)1-6(4)17-3-8(12,13)14/h1-2H,3H2
InChIKeyYQOCWZDZTGIMHG-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.86
Rot. Bonds3

About 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (PubChem CID 43134434) has the molecular formula C8H4Cl3F3O3S and a molecular weight of 343.54 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
PubChem CID43134434
Molecular FormulaC8H4Cl3F3O3S
Molecular Weight343.54 g/mol
Exact Mass341.89
IUPAC Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C8H4Cl3F3O3S/c9-4-2-7(18(11,15)16)5(10)1-6(4)17-3-8(12,13)14/h1-2H,3H2
InChIKeyYQOCWZDZTGIMHG-UHFFFAOYSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (CID 43134434) is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OCC(F)(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The InChIKey is YQOCWZDZTGIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3F3O3S/c9-4-2-7(18(11,15)16)5(10)1-6(4)17-3-8(12,13)14/h1-2H,3H2.
What are the key properties of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride has a molecular weight of 343.54 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 43134434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).