3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride

C5H9ClF2O3S — CID 82010144

IUPAC3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOCC(F)F
InChIInChI=1S/C5H9ClF2O3S/c6-12(9,10)3-1-2-11-4-5(7)8/h5H,1-4H2
InChIKeyWMUFVWRPLSNSND-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.23
Rot. Bonds6

About 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride

3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride (PubChem CID 82010144) has the molecular formula C5H9ClF2O3S and a molecular weight of 222.64 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride
PubChem CID82010144
Molecular FormulaC5H9ClF2O3S
Molecular Weight222.64 g/mol
Exact Mass221.99
IUPAC Name3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOCC(F)F
InChIInChI=1S/C5H9ClF2O3S/c6-12(9,10)3-1-2-11-4-5(7)8/h5H,1-4H2
InChIKeyWMUFVWRPLSNSND-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.23
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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Related Compounds

2-(2,2-Difluoroethoxy)ethane-1-sulfonyl chloride
CID 75480959
2-(2,2-Difluoroethoxy)ethane-1-sulfonamide
CID 75480961
2-(Trifluoromethoxy)ethane-1-sulfonyl chloride
CID 43811026
2-(2,2,2-Trifluoroethoxy)ethane-1-sulfonamide
CID 61490505
2-Methyl-2-(2,2,2-trifluoroethoxy)propane-1-sulfonyl chloride
CID 137949447
2-(2-Fluoroethoxy)ethane-1-sulfonyl chloride
CID 155977773
3,3,3-Trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
2,2,2-Trifluoroethyl butane-2-sulfonate
CID 20811121
2-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]ethane-1-sulfonyl chloride
CID 21973136
2-(2,2,2-Trifluoroethoxy)ethane-1-sulfonyl chloride
CID 54592756
3-(2,2,2-Trifluoro-1-trifluoromethyl-ethoxy)-propane-1-sulfonyl chloride
CID 58901215
3-((1,1,1-Trifluoropropan-2-yl)oxy)propane-1-sulfonyl chloride
CID 66277479

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride?
The IUPAC name of 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride (CID 82010144) is 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride?
The InChIKey is WMUFVWRPLSNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClF2O3S/c6-12(9,10)3-1-2-11-4-5(7)8/h5H,1-4H2.
What are the key properties of 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride?
3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride has a molecular weight of 222.64 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 82010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).