2,2-difluoro-1-methylcyclopropane-1-sulfinate

C4H5F2O2S- — CID 118236283

IUPAC2,2-difluoro-1-methylcyclopropane-1-sulfinate
SMILESCC1(S(=O)[O-])CC1(F)F
InChIInChI=1S/C4H6F2O2S/c1-3(9(7)8)2-4(3,5)6/h2H2,1H3,(H,7,8)/p-1
InChIKeyBAJFUKULBLZEPN-UHFFFAOYSA-M
MW155.14 g/mol
LogP0.66
Rot. Bonds1

About 2,2-difluoro-1-methylcyclopropane-1-sulfinate

2,2-difluoro-1-methylcyclopropane-1-sulfinate (PubChem CID 118236283) has the molecular formula C4H5F2O2S- and a molecular weight of 155.14 g/mol. Its IUPAC name is 2,2-difluoro-1-methylcyclopropane-1-sulfinate.

Molecular Properties

Compound Name2,2-difluoro-1-methylcyclopropane-1-sulfinate
PubChem CID118236283
Molecular FormulaC4H5F2O2S-
Molecular Weight155.14 g/mol
Exact Mass155.00
IUPAC Name2,2-difluoro-1-methylcyclopropane-1-sulfinate
SMILESCC1(S(=O)[O-])CC1(F)F
InChIInChI=1S/C4H6F2O2S/c1-3(9(7)8)2-4(3,5)6/h2H2,1H3,(H,7,8)/p-1
InChIKeyBAJFUKULBLZEPN-UHFFFAOYSA-M
XLogP0.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 50.66
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 2,2-difluoro-1-methylcyclopropane-1-sulfinate?
The IUPAC name of 2,2-difluoro-1-methylcyclopropane-1-sulfinate (CID 118236283) is 2,2-difluoro-1-methylcyclopropane-1-sulfinate.
What is the SMILES notation for 2,2-difluoro-1-methylcyclopropane-1-sulfinate?
The canonical SMILES for 2,2-difluoro-1-methylcyclopropane-1-sulfinate is CC1(S(=O)[O-])CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-methylcyclopropane-1-sulfinate?
The InChIKey is BAJFUKULBLZEPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6F2O2S/c1-3(9(7)8)2-4(3,5)6/h2H2,1H3,(H,7,8)/p-1.
What are the key properties of 2,2-difluoro-1-methylcyclopropane-1-sulfinate?
2,2-difluoro-1-methylcyclopropane-1-sulfinate has a molecular weight of 155.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylcyclopropane-1-sulfinate is sourced from PubChem (CID 118236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).