2-(4-fluorophenoxy)ethanesulfonyl chloride

C8H8ClFO3S — CID 51072262

IUPAC2-(4-fluorophenoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOc1ccc(F)cc1
InChIInChI=1S/C8H8ClFO3S/c9-14(11,12)6-5-13-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKeyVGZMGRHCUYOATF-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-fluorophenoxy)ethanesulfonyl chloride

2-(4-fluorophenoxy)ethanesulfonyl chloride (PubChem CID 51072262) has the molecular formula C8H8ClFO3S and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethanesulfonyl chloride
PubChem CID51072262
Molecular FormulaC8H8ClFO3S
Molecular Weight238.67 g/mol
Exact Mass237.99
IUPAC Name2-(4-fluorophenoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOc1ccc(F)cc1
InChIInChI=1S/C8H8ClFO3S/c9-14(11,12)6-5-13-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKeyVGZMGRHCUYOATF-UHFFFAOYSA-N
XLogP1.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(4-fluorophenoxy)ethanesulfonyl chloride (CID 51072262) is 2-(4-fluorophenoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-fluorophenoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-fluorophenoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethanesulfonyl chloride?
The InChIKey is VGZMGRHCUYOATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO3S/c9-14(11,12)6-5-13-8-3-1-7(10)2-4-8/h1-4H,5-6H2.
What are the key properties of 2-(4-fluorophenoxy)ethanesulfonyl chloride?
2-(4-fluorophenoxy)ethanesulfonyl chloride has a molecular weight of 238.67 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethanesulfonyl chloride is sourced from PubChem (CID 51072262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).