2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride

C6H10ClFO3S — CID 126849343

IUPAC2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)C1CCOC1
InChIInChI=1S/C6H10ClFO3S/c7-12(9,10)4-6(8)5-1-2-11-3-5/h5-6H,1-4H2
InChIKeyIMKFSZBVZLYXTA-UHFFFAOYSA-N
MW216.66 g/mol
LogP0.93
Rot. Bonds3

About 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride

2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride (PubChem CID 126849343) has the molecular formula C6H10ClFO3S and a molecular weight of 216.66 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride
PubChem CID126849343
Molecular FormulaC6H10ClFO3S
Molecular Weight216.66 g/mol
Exact Mass216.00
IUPAC Name2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(F)C1CCOC1
InChIInChI=1S/C6H10ClFO3S/c7-12(9,10)4-6(8)5-1-2-11-3-5/h5-6H,1-4H2
InChIKeyIMKFSZBVZLYXTA-UHFFFAOYSA-N
XLogP0.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Oxan-4-yl)methanesulfonyl chloride
CID 18348392
Oxolan-3-ylmethanesulfonyl chloride
CID 23000703
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
rac-((2R,3S)-3-methyloxolan-2-yl)methanesulfonyl chloride
CID 112639744
(4-Fluorooxan-4-yl)methanesulfonyl chloride
CID 119031497
3-(Oxolan-3-yl)propane-1-sulfonyl chloride
CID 122163366
(3-Fluorooxolan-3-yl)methanesulfonyl chloride
CID 126849355
3-Methyl-5-(2,2,2-trifluoroethoxy)pentane-1-sulfonyl chloride
CID 65664516
5-(2,2-Difluoroethoxy)-3-methylpentane-1-sulfonyl chloride
CID 82010517
2,2,2-Trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride
CID 114827559
2,2,2-Trifluoro-1-(oxolan-3-yl)ethanesulfonyl chloride
CID 114827580
2,2,2-Trifluoro-1-(oxolan-3-yl)ethanesulfonamide
CID 114827740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride (CID 126849343) is 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CC(F)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride?
The InChIKey is IMKFSZBVZLYXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO3S/c7-12(9,10)4-6(8)5-1-2-11-3-5/h5-6H,1-4H2.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride?
2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride has a molecular weight of 216.66 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 126849343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).