1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid

C6H3F11O4S — CID 19695004

IUPAC1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid
SMILESO=S(=O)(O)C(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H3F11O4S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,6(16,17)18)22(19,20)21/h1,18H,(H,19,20,21)
InChIKeyACQZHIVWAJAGLJ-UHFFFAOYSA-N
MW380.13 g/mol
LogP2.30
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid

1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid (PubChem CID 19695004) has the molecular formula C6H3F11O4S and a molecular weight of 380.13 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid
PubChem CID19695004
Molecular FormulaC6H3F11O4S
Molecular Weight380.13 g/mol
Exact Mass379.96
IUPAC Name1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid
SMILESO=S(=O)(O)C(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H3F11O4S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,6(16,17)18)22(19,20)21/h1,18H,(H,19,20,21)
InChIKeyACQZHIVWAJAGLJ-UHFFFAOYSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.13
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
CID 173464040
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexacosafluorotridecan-1-ol
CID 118339748
2-(1,1,2,2,3,3,4,4,5,5-decafluoropentoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 139595509
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
CID 174966166
2-chloro-1,1,2-trifluoroethanesulfonic acid
CID 18504267
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9-hexadecafluorononan-5-one
CID 87966898
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-2-sulfonic acid
CID 87186932
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane-1-sulfonate
CID 122481984
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
1,1-dichloro-2,2-difluoro-2-hydroxyethanesulfonic acid
CID 162539021
1,1,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
CID 87672454
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid (CID 19695004) is 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid is O=S(=O)(O)C(F)(C(O)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid?
The InChIKey is ACQZHIVWAJAGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O4S/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,6(16,17)18)22(19,20)21/h1,18H,(H,19,20,21).
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid?
1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid has a molecular weight of 380.13 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid is sourced from PubChem (CID 19695004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).