fluoro propoxy sulfate

C3H7FO5S — CID 172685802

IUPACfluoro propoxy sulfate
SMILESCCCOOS(=O)(=O)OF
InChIInChI=1S/C3H7FO5S/c1-2-3-7-9-10(5,6)8-4/h2-3H2,1H3
InChIKeyBADPCRKNQNJHDU-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.49
Rot. Bonds5

About fluoro propoxy sulfate

fluoro propoxy sulfate (PubChem CID 172685802) has the molecular formula C3H7FO5S and a molecular weight of 174.15 g/mol. Its IUPAC name is fluoro propoxy sulfate.

Molecular Properties

Compound Namefluoro propoxy sulfate
PubChem CID172685802
Molecular FormulaC3H7FO5S
Molecular Weight174.15 g/mol
Exact Mass174.00
IUPAC Namefluoro propoxy sulfate
SMILESCCCOOS(=O)(=O)OF
InChIInChI=1S/C3H7FO5S/c1-2-3-7-9-10(5,6)8-4/h2-3H2,1H3
InChIKeyBADPCRKNQNJHDU-UHFFFAOYSA-N
XLogP0.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro propoxy sulfate?
The IUPAC name of fluoro propoxy sulfate (CID 172685802) is fluoro propoxy sulfate.
What is the SMILES notation for fluoro propoxy sulfate?
The canonical SMILES for fluoro propoxy sulfate is CCCOOS(=O)(=O)OF.
What is the InChIKey of fluoro propoxy sulfate?
The InChIKey is BADPCRKNQNJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO5S/c1-2-3-7-9-10(5,6)8-4/h2-3H2,1H3.
What are the key properties of fluoro propoxy sulfate?
fluoro propoxy sulfate has a molecular weight of 174.15 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro propoxy sulfate is sourced from PubChem (CID 172685802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).