1,1-difluoropropane-1-sulfinate

C3H5F2O2S- — CID 57055331

IUPAC1,1-difluoropropane-1-sulfinate
SMILESCCC(F)(F)S(=O)[O-]
InChIInChI=1S/C3H6F2O2S/c1-2-3(4,5)8(6)7/h2H2,1H3,(H,6,7)/p-1
InChIKeyHBFKISTXJIBVJP-UHFFFAOYSA-M
MW143.13 g/mol
LogP0.87
Rot. Bonds2

About 1,1-difluoropropane-1-sulfinate

1,1-difluoropropane-1-sulfinate (PubChem CID 57055331) has the molecular formula C3H5F2O2S- and a molecular weight of 143.13 g/mol. Its IUPAC name is 1,1-difluoropropane-1-sulfinate.

Molecular Properties

Compound Name1,1-difluoropropane-1-sulfinate
PubChem CID57055331
Molecular FormulaC3H5F2O2S-
Molecular Weight143.13 g/mol
Exact Mass143.00
IUPAC Name1,1-difluoropropane-1-sulfinate
SMILESCCC(F)(F)S(=O)[O-]
InChIInChI=1S/C3H6F2O2S/c1-2-3(4,5)8(6)7/h2H2,1H3,(H,6,7)/p-1
InChIKeyHBFKISTXJIBVJP-UHFFFAOYSA-M
XLogP0.87
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.87
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 1,1-difluoropropane-1-sulfinate?
The IUPAC name of 1,1-difluoropropane-1-sulfinate (CID 57055331) is 1,1-difluoropropane-1-sulfinate.
What is the SMILES notation for 1,1-difluoropropane-1-sulfinate?
The canonical SMILES for 1,1-difluoropropane-1-sulfinate is CCC(F)(F)S(=O)[O-].
What is the InChIKey of 1,1-difluoropropane-1-sulfinate?
The InChIKey is HBFKISTXJIBVJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F2O2S/c1-2-3(4,5)8(6)7/h2H2,1H3,(H,6,7)/p-1.
What are the key properties of 1,1-difluoropropane-1-sulfinate?
1,1-difluoropropane-1-sulfinate has a molecular weight of 143.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropane-1-sulfinate is sourced from PubChem (CID 57055331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).