2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid

C7H10F2O2S — CID 162601259

IUPAC2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid
SMILESO=S(O)C(F)(F)C1CC2CCC21
InChIInChI=1S/C7H10F2O2S/c8-7(9,12(10)11)6-3-4-1-2-5(4)6/h4-6H,1-3H2,(H,10,11)
InChIKeyKASIYPKLBMOURN-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.85
Rot. Bonds2

About 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid

2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid (PubChem CID 162601259) has the molecular formula C7H10F2O2S and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid.

Molecular Properties

Compound Name2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid
PubChem CID162601259
Molecular FormulaC7H10F2O2S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid
SMILESO=S(O)C(F)(F)C1CC2CCC21
InChIInChI=1S/C7H10F2O2S/c8-7(9,12(10)11)6-3-4-1-2-5(4)6/h4-6H,1-3H2,(H,10,11)
InChIKeyKASIYPKLBMOURN-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Bicyclo[2.2.0]hexanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 123679712
2-(2-Bicyclo[2.2.0]hexanyl)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 145646591
2-Bicyclo[2.2.0]hexanyl(difluoro)methanesulfinate
CID 162601258

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid?
The IUPAC name of 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid (CID 162601259) is 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid.
What is the SMILES notation for 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid?
The canonical SMILES for 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid is O=S(O)C(F)(F)C1CC2CCC21.
What is the InChIKey of 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid?
The InChIKey is KASIYPKLBMOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2S/c8-7(9,12(10)11)6-3-4-1-2-5(4)6/h4-6H,1-3H2,(H,10,11).
What are the key properties of 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid?
2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid has a molecular weight of 196.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.0]hexanyl(difluoro)methanesulfinic acid is sourced from PubChem (CID 162601259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).