2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite

C6H3F11O3S — CID 174745894

IUPAC2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite
SMILESO=S(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19)
InChIKeyOGODKNKYLNBYHS-UHFFFAOYSA-N
MW364.13 g/mol
LogP3.24
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite (PubChem CID 174745894) has the molecular formula C6H3F11O3S and a molecular weight of 364.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite
PubChem CID174745894
Molecular FormulaC6H3F11O3S
Molecular Weight364.13 g/mol
Exact Mass363.96
IUPAC Name2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite
SMILESO=S(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19)
InChIKeyOGODKNKYLNBYHS-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.13
LogP ≤ 53.24
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 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite (CID 174745894) is 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite is O=S(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite?
The InChIKey is OGODKNKYLNBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O3S/c7-2(8,1-20-21(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2,(H,18,19).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite?
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite has a molecular weight of 364.13 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl hydrogen sulfite is sourced from PubChem (CID 174745894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).