2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

C11H12ClF3O3S — CID 60725381

IUPAC2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCC(F)(F)F
InChIInChI=1S/C11H12ClF3O3S/c1-6-4-9(19(12,16)17)7(2)8(3)10(6)18-5-11(13,14)15/h4H,5H2,1-3H3
InChIKeyIWBLHYRJKOJGIT-UHFFFAOYSA-N
MW316.73 g/mol
LogP3.48
Rot. Bonds3

About 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride

2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (PubChem CID 60725381) has the molecular formula C11H12ClF3O3S and a molecular weight of 316.73 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
PubChem CID60725381
Molecular FormulaC11H12ClF3O3S
Molecular Weight316.73 g/mol
Exact Mass316.01
IUPAC Name2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCC(F)(F)F
InChIInChI=1S/C11H12ClF3O3S/c1-6-4-9(19(12,16)17)7(2)8(3)10(6)18-5-11(13,14)15/h4H,5H2,1-3H3
InChIKeyIWBLHYRJKOJGIT-UHFFFAOYSA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride (CID 60725381) is 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCC(F)(F)F.
What is the InChIKey of 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
The InChIKey is IWBLHYRJKOJGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O3S/c1-6-4-9(19(12,16)17)7(2)8(3)10(6)18-5-11(13,14)15/h4H,5H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride?
2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride has a molecular weight of 316.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 60725381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).