difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid

C3HF5O3S — CID 175892055

IUPACdifluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid
SMILESO=S(O)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C3HF5O3S/c4-1(5)2(6)11-3(7,8)12(9)10/h(H,9,10)
InChIKeySIMWDWSFEOEAPW-UHFFFAOYSA-N
MW212.09 g/mol
LogP1.81
Rot. Bonds3

About difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid

difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid (PubChem CID 175892055) has the molecular formula C3HF5O3S and a molecular weight of 212.09 g/mol. Its IUPAC name is difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid.

Molecular Properties

Compound Namedifluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid
PubChem CID175892055
Molecular FormulaC3HF5O3S
Molecular Weight212.09 g/mol
Exact Mass211.96
IUPAC Namedifluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid
SMILESO=S(O)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C3HF5O3S/c4-1(5)2(6)11-3(7,8)12(9)10/h(H,9,10)
InChIKeySIMWDWSFEOEAPW-UHFFFAOYSA-N
XLogP1.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid?
The IUPAC name of difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid (CID 175892055) is difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid.
What is the SMILES notation for difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid?
The canonical SMILES for difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid is O=S(O)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid?
The InChIKey is SIMWDWSFEOEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O3S/c4-1(5)2(6)11-3(7,8)12(9)10/h(H,9,10).
What are the key properties of difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid?
difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid has a molecular weight of 212.09 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,2,2-trifluoroethenoxy)methanesulfinic acid is sourced from PubChem (CID 175892055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).