potassium 3-fluoropropyl sulfite

C3H6FKO3S — CID 174672463

IUPACpotassium 3-fluoropropyl sulfite
SMILESO=S([O-])OCCCF.[K+]
InChIInChI=1S/C3H7FO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyAPCIYSKWXIQLPY-UHFFFAOYSA-M
MW180.24 g/mol
LogP-2.84
Rot. Bonds4

About potassium 3-fluoropropyl sulfite

potassium 3-fluoropropyl sulfite (PubChem CID 174672463) has the molecular formula C3H6FKO3S and a molecular weight of 180.24 g/mol. Its IUPAC name is potassium 3-fluoropropyl sulfite.

Molecular Properties

Compound Namepotassium 3-fluoropropyl sulfite
PubChem CID174672463
Molecular FormulaC3H6FKO3S
Molecular Weight180.24 g/mol
Exact Mass179.97
IUPAC Namepotassium 3-fluoropropyl sulfite
SMILESO=S([O-])OCCCF.[K+]
InChIInChI=1S/C3H7FO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1
InChIKeyAPCIYSKWXIQLPY-UHFFFAOYSA-M
XLogP-2.84
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-fluoropropyl sulfite?
The IUPAC name of potassium 3-fluoropropyl sulfite (CID 174672463) is potassium 3-fluoropropyl sulfite.
What is the SMILES notation for potassium 3-fluoropropyl sulfite?
The canonical SMILES for potassium 3-fluoropropyl sulfite is O=S([O-])OCCCF.[K+].
What is the InChIKey of potassium 3-fluoropropyl sulfite?
The InChIKey is APCIYSKWXIQLPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7FO3S.K/c4-2-1-3-7-8(5)6;/h1-3H2,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 3-fluoropropyl sulfite?
potassium 3-fluoropropyl sulfite has a molecular weight of 180.24 g/mol, XLogP of -2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-fluoropropyl sulfite is sourced from PubChem (CID 174672463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).