2-fluorocyclopropane-1-sulfinate

C3H4FO2S- — CID 118236422

IUPAC2-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1CC1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/p-1
InChIKeyVQDNVHCUGLFSEN-UHFFFAOYSA-M
MW123.13 g/mol
LogP-0.02
Rot. Bonds1

About 2-fluorocyclopropane-1-sulfinate

2-fluorocyclopropane-1-sulfinate (PubChem CID 118236422) has the molecular formula C3H4FO2S- and a molecular weight of 123.13 g/mol. Its IUPAC name is 2-fluorocyclopropane-1-sulfinate.

Molecular Properties

Compound Name2-fluorocyclopropane-1-sulfinate
PubChem CID118236422
Molecular FormulaC3H4FO2S-
Molecular Weight123.13 g/mol
Exact Mass122.99
IUPAC Name2-fluorocyclopropane-1-sulfinate
SMILESO=S([O-])C1CC1F
InChIInChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/p-1
InChIKeyVQDNVHCUGLFSEN-UHFFFAOYSA-M
XLogP-0.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium cyclopropanesulfinate
CID 42643363
Cyclopropanesulfonyl fluoride
CID 22935870
3-Fluoropropanesulfonate
CID 132622
Sodium 1-fluorocyclopropane-1-sulfinate
CID 146441984
2-Fluoroethanesulfinate
CID 19939930
3-Fluoropropane-1-sulfinate
CID 21652952
2-Fluoropropane-1-sulfinate
CID 23206811
1,3-Difluoropropane-2-sulfinate
CID 23206817
2,3-Difluoropropane-1-sulfinate
CID 23206829
1-Fluoropropane-2-sulfinate
CID 91804674
1-Fluoropropane-1-sulfinate
CID 91805616
2,2-Difluorocyclopropane-1-sulfinate
CID 117899732

Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclopropane-1-sulfinate?
The IUPAC name of 2-fluorocyclopropane-1-sulfinate (CID 118236422) is 2-fluorocyclopropane-1-sulfinate.
What is the SMILES notation for 2-fluorocyclopropane-1-sulfinate?
The canonical SMILES for 2-fluorocyclopropane-1-sulfinate is O=S([O-])C1CC1F.
What is the InChIKey of 2-fluorocyclopropane-1-sulfinate?
The InChIKey is VQDNVHCUGLFSEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO2S/c4-2-1-3(2)7(5)6/h2-3H,1H2,(H,5,6)/p-1.
What are the key properties of 2-fluorocyclopropane-1-sulfinate?
2-fluorocyclopropane-1-sulfinate has a molecular weight of 123.13 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclopropane-1-sulfinate is sourced from PubChem (CID 118236422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).