2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid

C10H8F4O2S2 — CID 91049089

IUPAC2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid
SMILESC=Cc1ccc(SC(F)(F)C(F)(F)S(=O)O)cc1
InChIInChI=1S/C10H8F4O2S2/c1-2-7-3-5-8(6-4-7)17-9(11,12)10(13,14)18(15)16/h2-6H,1H2,(H,15,16)
InChIKeyLOSHPNORAFLVHL-UHFFFAOYSA-N
MW300.30 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid

2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid (PubChem CID 91049089) has the molecular formula C10H8F4O2S2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid.

Molecular Properties

Compound Name2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid
PubChem CID91049089
Molecular FormulaC10H8F4O2S2
Molecular Weight300.30 g/mol
Exact Mass299.99
IUPAC Name2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid
SMILESC=Cc1ccc(SC(F)(F)C(F)(F)S(=O)O)cc1
InChIInChI=1S/C10H8F4O2S2/c1-2-7-3-5-8(6-4-7)17-9(11,12)10(13,14)18(15)16/h2-6H,1H2,(H,15,16)
InChIKeyLOSHPNORAFLVHL-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid?
The IUPAC name of 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid (CID 91049089) is 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid.
What is the SMILES notation for 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid?
The canonical SMILES for 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid is C=Cc1ccc(SC(F)(F)C(F)(F)S(=O)O)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid?
The InChIKey is LOSHPNORAFLVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2S2/c1-2-7-3-5-8(6-4-7)17-9(11,12)10(13,14)18(15)16/h2-6H,1H2,(H,15,16).
What are the key properties of 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid?
2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid has a molecular weight of 300.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)sulfanyl-1,1,2,2-tetrafluoroethanesulfinic acid is sourced from PubChem (CID 91049089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).