sodium 1-fluorocyclopropane-1-sulfinate

C3H4FNaO2S — CID 146441984

IUPACsodium 1-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(F)CC1.[Na+]
InChIInChI=1S/C3H5FO2S.Na/c4-3(1-2-3)7(5)6;/h1-2H2,(H,5,6);/q;+1/p-1
InChIKeyMNCGVKOULGEUJN-UHFFFAOYSA-M
MW146.12 g/mol
LogP-2.67
Rot. Bonds1

About sodium 1-fluorocyclopropane-1-sulfinate

sodium 1-fluorocyclopropane-1-sulfinate (PubChem CID 146441984) has the molecular formula C3H4FNaO2S and a molecular weight of 146.12 g/mol. Its IUPAC name is sodium 1-fluorocyclopropane-1-sulfinate.

Molecular Properties

Compound Namesodium 1-fluorocyclopropane-1-sulfinate
PubChem CID146441984
Molecular FormulaC3H4FNaO2S
Molecular Weight146.12 g/mol
Exact Mass145.98
IUPAC Namesodium 1-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1(F)CC1.[Na+]
InChIInChI=1S/C3H5FO2S.Na/c4-3(1-2-3)7(5)6;/h1-2H2,(H,5,6);/q;+1/p-1
InChIKeyMNCGVKOULGEUJN-UHFFFAOYSA-M
XLogP-2.67
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-2.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1-fluorocyclopropane-1-sulfinate?
The IUPAC name of sodium 1-fluorocyclopropane-1-sulfinate (CID 146441984) is sodium 1-fluorocyclopropane-1-sulfinate.
What is the SMILES notation for sodium 1-fluorocyclopropane-1-sulfinate?
The canonical SMILES for sodium 1-fluorocyclopropane-1-sulfinate is O=S([O-])C1(F)CC1.[Na+].
What is the InChIKey of sodium 1-fluorocyclopropane-1-sulfinate?
The InChIKey is MNCGVKOULGEUJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO2S.Na/c4-3(1-2-3)7(5)6;/h1-2H2,(H,5,6);/q;+1/p-1.
What are the key properties of sodium 1-fluorocyclopropane-1-sulfinate?
sodium 1-fluorocyclopropane-1-sulfinate has a molecular weight of 146.12 g/mol, XLogP of -2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-fluorocyclopropane-1-sulfinate is sourced from PubChem (CID 146441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).