fluoro propyl sulfate

C3H7FO4S — CID 155182826

IUPACfluoro propyl sulfate
SMILESCCCOS(=O)(=O)OF
InChIInChI=1S/C3H7FO4S/c1-2-3-7-9(5,6)8-4/h2-3H2,1H3
InChIKeyJDJKRGAHONCNLI-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.56
Rot. Bonds4

About fluoro propyl sulfate

fluoro propyl sulfate (PubChem CID 155182826) has the molecular formula C3H7FO4S and a molecular weight of 158.15 g/mol. Its IUPAC name is fluoro propyl sulfate.

Molecular Properties

Compound Namefluoro propyl sulfate
PubChem CID155182826
Molecular FormulaC3H7FO4S
Molecular Weight158.15 g/mol
Exact Mass158.00
IUPAC Namefluoro propyl sulfate
SMILESCCCOS(=O)(=O)OF
InChIInChI=1S/C3H7FO4S/c1-2-3-7-9(5,6)8-4/h2-3H2,1H3
InChIKeyJDJKRGAHONCNLI-UHFFFAOYSA-N
XLogP0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro propyl sulfate?
The IUPAC name of fluoro propyl sulfate (CID 155182826) is fluoro propyl sulfate.
What is the SMILES notation for fluoro propyl sulfate?
The canonical SMILES for fluoro propyl sulfate is CCCOS(=O)(=O)OF.
What is the InChIKey of fluoro propyl sulfate?
The InChIKey is JDJKRGAHONCNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO4S/c1-2-3-7-9(5,6)8-4/h2-3H2,1H3.
What are the key properties of fluoro propyl sulfate?
fluoro propyl sulfate has a molecular weight of 158.15 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro propyl sulfate is sourced from PubChem (CID 155182826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).