2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride

C8H15FO6S — CID 11557945

IUPAC2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride
SMILESCC1(CO)OCC(COCCS(=O)(=O)F)O1
InChIInChI=1S/C8H15FO6S/c1-8(6-10)14-5-7(15-8)4-13-2-3-16(9,11)12/h7,10H,2-6H2,1H3
InChIKeyCYLYEZRQCQDFCT-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.57
Rot. Bonds6

About 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride

2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride (PubChem CID 11557945) has the molecular formula C8H15FO6S and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride
PubChem CID11557945
Molecular FormulaC8H15FO6S
Molecular Weight258.27 g/mol
Exact Mass258.06
IUPAC Name2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride
SMILESCC1(CO)OCC(COCCS(=O)(=O)F)O1
InChIInChI=1S/C8H15FO6S/c1-8(6-10)14-5-7(15-8)4-13-2-3-16(9,11)12/h7,10H,2-6H2,1H3
InChIKeyCYLYEZRQCQDFCT-UHFFFAOYSA-N
XLogP-0.57
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride?
The IUPAC name of 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride (CID 11557945) is 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride?
The canonical SMILES for 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride is CC1(CO)OCC(COCCS(=O)(=O)F)O1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride?
The InChIKey is CYLYEZRQCQDFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO6S/c1-8(6-10)14-5-7(15-8)4-13-2-3-16(9,11)12/h7,10H,2-6H2,1H3.
What are the key properties of 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride?
2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride has a molecular weight of 258.27 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]ethanesulfonyl fluoride is sourced from PubChem (CID 11557945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).