fluoro 1,1-difluoropropane-1-sulfonate

C3H5F3O3S — CID 57017022

IUPACfluoro 1,1-difluoropropane-1-sulfonate
SMILESCCC(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3H5F3O3S/c1-2-3(4,5)10(7,8)9-6/h2H2,1H3
InChIKeyIRZHTFFPVHIHFK-UHFFFAOYSA-N
MW178.13 g/mol
LogP1.22
Rot. Bonds3

About fluoro 1,1-difluoropropane-1-sulfonate

fluoro 1,1-difluoropropane-1-sulfonate (PubChem CID 57017022) has the molecular formula C3H5F3O3S and a molecular weight of 178.13 g/mol. Its IUPAC name is fluoro 1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Namefluoro 1,1-difluoropropane-1-sulfonate
PubChem CID57017022
Molecular FormulaC3H5F3O3S
Molecular Weight178.13 g/mol
Exact Mass177.99
IUPAC Namefluoro 1,1-difluoropropane-1-sulfonate
SMILESCCC(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3H5F3O3S/c1-2-3(4,5)10(7,8)9-6/h2H2,1H3
InChIKeyIRZHTFFPVHIHFK-UHFFFAOYSA-N
XLogP1.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,1-difluoropropane-1-sulfonate?
The IUPAC name of fluoro 1,1-difluoropropane-1-sulfonate (CID 57017022) is fluoro 1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for fluoro 1,1-difluoropropane-1-sulfonate?
The canonical SMILES for fluoro 1,1-difluoropropane-1-sulfonate is CCC(F)(F)S(=O)(=O)OF.
What is the InChIKey of fluoro 1,1-difluoropropane-1-sulfonate?
The InChIKey is IRZHTFFPVHIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3S/c1-2-3(4,5)10(7,8)9-6/h2H2,1H3.
What are the key properties of fluoro 1,1-difluoropropane-1-sulfonate?
fluoro 1,1-difluoropropane-1-sulfonate has a molecular weight of 178.13 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 57017022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).