(3-fluorooxolan-3-yl) methanesulfonate

C5H9FO4S — CID 175426063

IUPAC(3-fluorooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1(F)CCOC1
InChIInChI=1S/C5H9FO4S/c1-11(7,8)10-5(6)2-3-9-4-5/h2-4H2,1H3
InChIKeyQSUCPEWMOBCZNK-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.05
Rot. Bonds2

About (3-fluorooxolan-3-yl) methanesulfonate

(3-fluorooxolan-3-yl) methanesulfonate (PubChem CID 175426063) has the molecular formula C5H9FO4S and a molecular weight of 184.19 g/mol. Its IUPAC name is (3-fluorooxolan-3-yl) methanesulfonate.

Molecular Properties

Compound Name(3-fluorooxolan-3-yl) methanesulfonate
PubChem CID175426063
Molecular FormulaC5H9FO4S
Molecular Weight184.19 g/mol
Exact Mass184.02
IUPAC Name(3-fluorooxolan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1(F)CCOC1
InChIInChI=1S/C5H9FO4S/c1-11(7,8)10-5(6)2-3-9-4-5/h2-4H2,1H3
InChIKeyQSUCPEWMOBCZNK-UHFFFAOYSA-N
XLogP0.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Oxolan-3-yl methanesulfonate
CID 15278452
2-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]ethyl methanesulfonate
CID 53820917
2-Butoxyethyl fluoromethanesulfonate
CID 90141489
2-(3-Fluoropropoxy)ethyl methanesulfonate
CID 139941159
2-(4-Fluorobutoxy)ethyl methanesulfonate
CID 139941203
Oxolane-3,4-diyl dimethanesulfonate
CID 325978
[(3S,4S)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate
CID 15046543
3-(Trifluoromethyl)-3-tetrahydrofuryl Methanesulfonate
CID 168481734
(4-Methylperoxysulfanyloxyoxolan-3-yl) methanesulfonate
CID 20641282
[(3R,4R)-4-methylsulfonyloxyoxolan-3-yl] methanesulfonate
CID 57452485
(S)-tetrahydrofuran-3-yl methanesulfonate
CID 57561588
(3R,4S)-4-[(Methylsulfonyl)oxy]tetrahydro-3-furanyl methanesulfonate
CID 57931119

Frequently Asked Questions

What is the IUPAC name of (3-fluorooxolan-3-yl) methanesulfonate?
The IUPAC name of (3-fluorooxolan-3-yl) methanesulfonate (CID 175426063) is (3-fluorooxolan-3-yl) methanesulfonate.
What is the SMILES notation for (3-fluorooxolan-3-yl) methanesulfonate?
The canonical SMILES for (3-fluorooxolan-3-yl) methanesulfonate is CS(=O)(=O)OC1(F)CCOC1.
What is the InChIKey of (3-fluorooxolan-3-yl) methanesulfonate?
The InChIKey is QSUCPEWMOBCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO4S/c1-11(7,8)10-5(6)2-3-9-4-5/h2-4H2,1H3.
What are the key properties of (3-fluorooxolan-3-yl) methanesulfonate?
(3-fluorooxolan-3-yl) methanesulfonate has a molecular weight of 184.19 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxolan-3-yl) methanesulfonate is sourced from PubChem (CID 175426063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).