[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate

C8H12F2O4S — CID 87249087

IUPAC[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate
SMILESCS(=O)(=O)OCC(C(F)F)C1C=CCO1
InChIInChI=1S/C8H12F2O4S/c1-15(11,12)14-5-6(8(9)10)7-3-2-4-13-7/h2-3,6-8H,4-5H2,1H3
InChIKeyOVKSSSQHNQGYRU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.80
Rot. Bonds5

About [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate

[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate (PubChem CID 87249087) has the molecular formula C8H12F2O4S and a molecular weight of 242.24 g/mol. Its IUPAC name is [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate.

Molecular Properties

Compound Name[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate
PubChem CID87249087
Molecular FormulaC8H12F2O4S
Molecular Weight242.24 g/mol
Exact Mass242.04
IUPAC Name[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate
SMILESCS(=O)(=O)OCC(C(F)F)C1C=CCO1
InChIInChI=1S/C8H12F2O4S/c1-15(11,12)14-5-6(8(9)10)7-3-2-4-13-7/h2-3,6-8H,4-5H2,1H3
InChIKeyOVKSSSQHNQGYRU-UHFFFAOYSA-N
XLogP0.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate?
The IUPAC name of [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate (CID 87249087) is [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate.
What is the SMILES notation for [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate?
The canonical SMILES for [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate is CS(=O)(=O)OCC(C(F)F)C1C=CCO1.
What is the InChIKey of [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate?
The InChIKey is OVKSSSQHNQGYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O4S/c1-15(11,12)14-5-6(8(9)10)7-3-2-4-13-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate?
[2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate has a molecular weight of 242.24 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropyl] methanesulfonate is sourced from PubChem (CID 87249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).