2-(2,2-difluoroethoxy)ethanesulfonyl chloride

C4H7ClF2O3S — CID 75480959

IUPAC2-(2,2-difluoroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC(F)F
InChIInChI=1S/C4H7ClF2O3S/c5-11(8,9)2-1-10-3-4(6)7/h4H,1-3H2
InChIKeyYCYMBNVPYDFDIG-UHFFFAOYSA-N
MW208.61 g/mol
LogP0.84
Rot. Bonds5

About 2-(2,2-difluoroethoxy)ethanesulfonyl chloride

2-(2,2-difluoroethoxy)ethanesulfonyl chloride (PubChem CID 75480959) has the molecular formula C4H7ClF2O3S and a molecular weight of 208.61 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)ethanesulfonyl chloride
PubChem CID75480959
Molecular FormulaC4H7ClF2O3S
Molecular Weight208.61 g/mol
Exact Mass207.98
IUPAC Name2-(2,2-difluoroethoxy)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCOCC(F)F
InChIInChI=1S/C4H7ClF2O3S/c5-11(8,9)2-1-10-3-4(6)7/h4H,1-3H2
InChIKeyYCYMBNVPYDFDIG-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2,2-difluoroethoxy)ethanesulfonyl chloride (CID 75480959) is 2-(2,2-difluoroethoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2,2-difluoroethoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2,2-difluoroethoxy)ethanesulfonyl chloride is O=S(=O)(Cl)CCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)ethanesulfonyl chloride?
The InChIKey is YCYMBNVPYDFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF2O3S/c5-11(8,9)2-1-10-3-4(6)7/h4H,1-3H2.
What are the key properties of 2-(2,2-difluoroethoxy)ethanesulfonyl chloride?
2-(2,2-difluoroethoxy)ethanesulfonyl chloride has a molecular weight of 208.61 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)ethanesulfonyl chloride is sourced from PubChem (CID 75480959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).