4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride

C11H14ClFO3S — CID 80699431

IUPAC4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCCF
InChIInChI=1S/C11H14ClFO3S/c1-7-6-10(17(12,14)15)8(2)9(3)11(7)16-5-4-13/h6H,4-5H2,1-3H3
InChIKeyDREHWWFPPBMCMZ-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.89
Rot. Bonds4

About 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride

4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride (PubChem CID 80699431) has the molecular formula C11H14ClFO3S and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
PubChem CID80699431
Molecular FormulaC11H14ClFO3S
Molecular Weight280.75 g/mol
Exact Mass280.03
IUPAC Name4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCCF
InChIInChI=1S/C11H14ClFO3S/c1-7-6-10(17(12,14)15)8(2)9(3)11(7)16-5-4-13/h6H,4-5H2,1-3H3
InChIKeyDREHWWFPPBMCMZ-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trimethyl-4-(2-methylprop-2-enoxy)benzenesulfonyl chloride
CID 82909947
2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82911702
2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911706
5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
CID 143945190
2,3,5-trimethyl-4-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 115514527
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157191
5-fluoro-2,3-dimethylbenzenesulfonyl chloride
CID 130840588
2-[4-(dimethylamino)-4-oxobutoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911960
5-bromo-3-methyl-2-octoxybenzenesulfonyl chloride
CID 63495664

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride?
The IUPAC name of 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride (CID 80699431) is 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride?
The InChIKey is DREHWWFPPBMCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3S/c1-7-6-10(17(12,14)15)8(2)9(3)11(7)16-5-4-13/h6H,4-5H2,1-3H3.
What are the key properties of 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride?
4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride has a molecular weight of 280.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride is sourced from PubChem (CID 80699431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).