fluoro 1,1,3,3,3-pentafluoropropyl sulfate

C3H2F6O4S — CID 87505849

IUPACfluoro 1,1,3,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)(OF)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6O4S/c4-2(5,6)1-3(7,8)12-14(10,11)13-9/h1H2
InChIKeyLKDNGFPHVGAQRH-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.69
Rot. Bonds4

About fluoro 1,1,3,3,3-pentafluoropropyl sulfate

fluoro 1,1,3,3,3-pentafluoropropyl sulfate (PubChem CID 87505849) has the molecular formula C3H2F6O4S and a molecular weight of 248.10 g/mol. Its IUPAC name is fluoro 1,1,3,3,3-pentafluoropropyl sulfate.

Molecular Properties

Compound Namefluoro 1,1,3,3,3-pentafluoropropyl sulfate
PubChem CID87505849
Molecular FormulaC3H2F6O4S
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Namefluoro 1,1,3,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)(OF)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6O4S/c4-2(5,6)1-3(7,8)12-14(10,11)13-9/h1H2
InChIKeyLKDNGFPHVGAQRH-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,1,3,3,3-pentafluoropropyl sulfate?
The IUPAC name of fluoro 1,1,3,3,3-pentafluoropropyl sulfate (CID 87505849) is fluoro 1,1,3,3,3-pentafluoropropyl sulfate.
What is the SMILES notation for fluoro 1,1,3,3,3-pentafluoropropyl sulfate?
The canonical SMILES for fluoro 1,1,3,3,3-pentafluoropropyl sulfate is O=S(=O)(OF)OC(F)(F)CC(F)(F)F.
What is the InChIKey of fluoro 1,1,3,3,3-pentafluoropropyl sulfate?
The InChIKey is LKDNGFPHVGAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O4S/c4-2(5,6)1-3(7,8)12-14(10,11)13-9/h1H2.
What are the key properties of fluoro 1,1,3,3,3-pentafluoropropyl sulfate?
fluoro 1,1,3,3,3-pentafluoropropyl sulfate has a molecular weight of 248.10 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1,3,3,3-pentafluoropropyl sulfate is sourced from PubChem (CID 87505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).