methyl (3-fluorooxolan-3-yl)methanesulfonate

C6H11FO4S — CID 175510043

IUPACmethyl (3-fluorooxolan-3-yl)methanesulfonate
SMILESCOS(=O)(=O)CC1(F)CCOC1
InChIInChI=1S/C6H11FO4S/c1-10-12(8,9)5-6(7)2-3-11-4-6/h2-5H2,1H3
InChIKeyUNDBIEQRNHVQSF-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.09
Rot. Bonds3

About methyl (3-fluorooxolan-3-yl)methanesulfonate

methyl (3-fluorooxolan-3-yl)methanesulfonate (PubChem CID 175510043) has the molecular formula C6H11FO4S and a molecular weight of 198.21 g/mol. Its IUPAC name is methyl (3-fluorooxolan-3-yl)methanesulfonate.

Molecular Properties

Compound Namemethyl (3-fluorooxolan-3-yl)methanesulfonate
PubChem CID175510043
Molecular FormulaC6H11FO4S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Namemethyl (3-fluorooxolan-3-yl)methanesulfonate
SMILESCOS(=O)(=O)CC1(F)CCOC1
InChIInChI=1S/C6H11FO4S/c1-10-12(8,9)5-6(7)2-3-11-4-6/h2-5H2,1H3
InChIKeyUNDBIEQRNHVQSF-UHFFFAOYSA-N
XLogP0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.09
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

3-Furanmethanesulfonyl fluoride, tetrahydro-
CID 50989451
(3-Fluorooxolan-3-yl)methanesulfonyl chloride
CID 126849355
[(3R)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124118
[(3S)-oxolan-3-yl]methanesulfonyl fluoride
CID 98124119
(3S,4S)-4-methyloxolane-3-sulfonyl fluoride
CID 130820464
4-Methyloxolane-3-sulfonyl fluoride
CID 130880339
4,4-Dimethyloxolane-3-sulfonyl fluoride
CID 165504783
(3-Fluorooxolan-3-yl)methanesulfonamide
CID 165547643
(3-Fluorooxolan-3-yl)methanesulfonyl fluoride
CID 165904194
[3-(Methoxymethyl)oxolan-3-yl]methanesulfonyl fluoride
CID 165986487
(3-Methyloxolan-3-yl)methanesulfonyl fluoride
CID 165993745
(Tetrahydro-furan-3-yl)-methansulfonate
CID 17964347

Frequently Asked Questions

What is the IUPAC name of methyl (3-fluorooxolan-3-yl)methanesulfonate?
The IUPAC name of methyl (3-fluorooxolan-3-yl)methanesulfonate (CID 175510043) is methyl (3-fluorooxolan-3-yl)methanesulfonate.
What is the SMILES notation for methyl (3-fluorooxolan-3-yl)methanesulfonate?
The canonical SMILES for methyl (3-fluorooxolan-3-yl)methanesulfonate is COS(=O)(=O)CC1(F)CCOC1.
What is the InChIKey of methyl (3-fluorooxolan-3-yl)methanesulfonate?
The InChIKey is UNDBIEQRNHVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4S/c1-10-12(8,9)5-6(7)2-3-11-4-6/h2-5H2,1H3.
What are the key properties of methyl (3-fluorooxolan-3-yl)methanesulfonate?
methyl (3-fluorooxolan-3-yl)methanesulfonate has a molecular weight of 198.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3-fluorooxolan-3-yl)methanesulfonate is sourced from PubChem (CID 175510043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).