1-(2-Ethoxypropoxy)ethanesulfonyl fluoride

C7H15FO4S — CID 88593195

IUPAC1-(2-ethoxypropoxy)ethanesulfonyl fluoride
SMILESCCOC(C)COC(C)S(=O)(=O)F
InChIInChI=1S/C7H15FO4S/c1-4-11-6(2)5-12-7(3)13(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyJYHIPQZCAWVGMM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride

1-(2-Ethoxypropoxy)ethanesulfonyl fluoride (PubChem CID 88593195) has the molecular formula C7H15FO4S and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2-ethoxypropoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1-(2-Ethoxypropoxy)ethanesulfonyl fluoride
PubChem CID88593195
Molecular FormulaC7H15FO4S
Molecular Weight214.26 g/mol
Exact Mass214.07
IUPAC Name1-(2-ethoxypropoxy)ethanesulfonyl fluoride
SMILESCCOC(C)COC(C)S(=O)(=O)F
InChIInChI=1S/C7H15FO4S/c1-4-11-6(2)5-12-7(3)13(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyJYHIPQZCAWVGMM-UHFFFAOYSA-N
XLogP1.20
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Fluorosulfonylethoxy)propylvinylether
CID 20572408
2,3-Dimethoxypropane-1-sulfonyl chloride
CID 122164421
(2R)-2,3-dimethoxypropane-1-sulfonyl chloride
CID 125424529
(2S)-2,3-dimethoxypropane-1-sulfonyl chloride
CID 125424530
(6-Methyl-1,4-dioxan-2-yl)methanesulfonylchloride
CID 155970231
2-Isopropoxyethyl Methanesulfonate
CID 18465045
1-(1-Ethenoxypropan-2-yloxy)ethanesulfonyl fluoride
CID 21803136
2-(1-Hydroxypropan-2-yloxy)ethanesulfonyl fluoride
CID 22420415
2-(Propan-2-yloxy)ethane-1-sulfonyl fluoride
CID 22420418
3-Propoxypropane-1-sulfonyl fluoride
CID 88593425
3-Ethoxypropane-1-sulfonyl fluoride
CID 88593484
Fluoro 2-(1-ethoxypropan-2-yloxy)ethanesulfonate
CID 140477262

Frequently Asked Questions

What is the IUPAC name of 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride?
The IUPAC name of 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride (CID 88593195) is 1-(2-ethoxypropoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride is CCOC(C)COC(C)S(=O)(=O)F.
What is the InChIKey of 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride?
The InChIKey is JYHIPQZCAWVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO4S/c1-4-11-6(2)5-12-7(3)13(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride?
1-(2-Ethoxypropoxy)ethanesulfonyl fluoride has a molecular weight of 214.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Ethoxypropoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 88593195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).