1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid

C5HF11O2S — CID 22186453

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)19(17)18/h(H,17,18)
InChIKeyVWOZJJGGBQGKFY-UHFFFAOYSA-N
MW334.11 g/mol
LogP3.27
Rot. Bonds4

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid (PubChem CID 22186453) has the molecular formula C5HF11O2S and a molecular weight of 334.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid
PubChem CID22186453
Molecular FormulaC5HF11O2S
Molecular Weight334.11 g/mol
Exact Mass333.95
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)19(17)18/h(H,17,18)
InChIKeyVWOZJJGGBQGKFY-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid (CID 22186453) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid is O=S(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid?
The InChIKey is VWOZJJGGBQGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)19(17)18/h(H,17,18).
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid has a molecular weight of 334.11 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid is sourced from PubChem (CID 22186453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).