2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride

C8H17FO5S — CID 174468355

IUPAC2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride
SMILESCCCOCC(CO)OCCS(=O)(=O)F
InChIInChI=1S/C8H17FO5S/c1-2-3-13-7-8(6-10)14-4-5-15(9,11)12/h8,10H,2-7H2,1H3
InChIKeyFPQCDUZUXNNMEZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.09
Rot. Bonds9

About 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride

2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride (PubChem CID 174468355) has the molecular formula C8H17FO5S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride
PubChem CID174468355
Molecular FormulaC8H17FO5S
Molecular Weight244.28 g/mol
Exact Mass244.08
IUPAC Name2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride
SMILESCCCOCC(CO)OCCS(=O)(=O)F
InChIInChI=1S/C8H17FO5S/c1-2-3-13-7-8(6-10)14-4-5-15(9,11)12/h8,10H,2-7H2,1H3
InChIKeyFPQCDUZUXNNMEZ-UHFFFAOYSA-N
XLogP0.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Hydroxypropan-2-yloxy)ethanesulfonyl fluoride
CID 22420415
1-(2-Propoxypropoxy)ethanesulfonyl fluoride
CID 154094011
2-[[2-(Hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride
CID 11557945
3-(2,3-Dihydroxypropoxy)propane-1-sulfonic acid
CID 17860081
2,3-Dihydroxypropane-1-sulfonic acid;ethoxyethane
CID 18381064
3-Ethoxy-2-hydroxypropane-1-sulfonate
CID 19833242
2-(1-Hydroxypropan-2-yloxy)ethanesulfonic acid
CID 19937035
[1-(2,3-Dihydroxypropoxy)-3-hydroxypropan-2-yl] propane-1-sulfonate
CID 20467264
Sodium 1-(1-hydroxypropan-2-yloxy)-4-propan-2-yloxybutane-2-sulfonate
CID 20700098
2-(2,3-Dihydroxypropoxy)ethanesulfonic acid
CID 22115008
3-(2-Hydroxybutoxy)propane-1-sulfonic acid
CID 22972290
1-(2,3-Dihydroxypropoxy)propane-1-sulfonic acid
CID 23369153

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride?
The IUPAC name of 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride (CID 174468355) is 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride.
What is the SMILES notation for 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride?
The canonical SMILES for 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride is CCCOCC(CO)OCCS(=O)(=O)F.
What is the InChIKey of 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride?
The InChIKey is FPQCDUZUXNNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO5S/c1-2-3-13-7-8(6-10)14-4-5-15(9,11)12/h8,10H,2-7H2,1H3.
What are the key properties of 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride?
2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride has a molecular weight of 244.28 g/mol, XLogP of 0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-propoxypropan-2-yl)oxyethanesulfonyl fluoride is sourced from PubChem (CID 174468355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).