fluoromethanesulfinate;dihydrochloride

CH4Cl2FO2S- — CID 90187443

IUPACfluoromethanesulfinate;dihydrochloride
SMILESCl.Cl.O=S([O-])CF
InChIInChI=1S/CH3FO2S.2ClH/c2-1-5(3)4;;/h1H2,(H,3,4);2*1H/p-1
InChIKeyMQYNIRWWRMSAND-UHFFFAOYSA-M
MW170.01 g/mol
LogP0.64
Rot. Bonds1

About fluoromethanesulfinate;dihydrochloride

fluoromethanesulfinate;dihydrochloride (PubChem CID 90187443) has the molecular formula CH4Cl2FO2S- and a molecular weight of 170.01 g/mol. Its IUPAC name is fluoromethanesulfinate;dihydrochloride.

Molecular Properties

Compound Namefluoromethanesulfinate;dihydrochloride
PubChem CID90187443
Molecular FormulaCH4Cl2FO2S-
Molecular Weight170.01 g/mol
Exact Mass168.93
IUPAC Namefluoromethanesulfinate;dihydrochloride
SMILESCl.Cl.O=S([O-])CF
InChIInChI=1S/CH3FO2S.2ClH/c2-1-5(3)4;;/h1H2,(H,3,4);2*1H/p-1
InChIKeyMQYNIRWWRMSAND-UHFFFAOYSA-M
XLogP0.64
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.01
LogP ≤ 50.64
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 fluoromethanesulfinate;dihydrochloride?
The IUPAC name of fluoromethanesulfinate;dihydrochloride (CID 90187443) is fluoromethanesulfinate;dihydrochloride.
What is the SMILES notation for fluoromethanesulfinate;dihydrochloride?
The canonical SMILES for fluoromethanesulfinate;dihydrochloride is Cl.Cl.O=S([O-])CF.
What is the InChIKey of fluoromethanesulfinate;dihydrochloride?
The InChIKey is MQYNIRWWRMSAND-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3FO2S.2ClH/c2-1-5(3)4;;/h1H2,(H,3,4);2*1H/p-1.
What are the key properties of fluoromethanesulfinate;dihydrochloride?
fluoromethanesulfinate;dihydrochloride has a molecular weight of 170.01 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethanesulfinate;dihydrochloride is sourced from PubChem (CID 90187443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).