1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid

C4HF9O3S — CID 3022201

IUPAC1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O3S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16/h(H,14,15,16)
InChIKeyGWJVUODILLGCGD-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.30
Rot. Bonds2

About 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid

1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid (PubChem CID 3022201) has the molecular formula C4HF9O3S and a molecular weight of 300.10 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid
PubChem CID3022201
Molecular FormulaC4HF9O3S
Molecular Weight300.10 g/mol
Exact Mass299.95
IUPAC Name1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O3S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16/h(H,14,15,16)
InChIKeyGWJVUODILLGCGD-UHFFFAOYSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorohexanesulfonic Acid
CID 67734
Perfluorobutanesulfonic acid
CID 67815
1-Butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
CID 596595
Perfluorobutanesulfonate
CID 3741048
Perfluoropentanesulfonic acid
CID 75922
Pentafluoroethanesulfonic acid
CID 10219841
Potassium 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propanesulphonate
CID 23662569
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic acid
CID 3018003
Perfluoropropanesulfonic acid
CID 9859771
Pfsa-H; C4H2F8O3S
CID 59736185
4-(Pentafluorosulfanyl)perfluorobutyl sulfonic acid
CID 131717604
Perfluoropentane-1-sulfinic acid
CID 22186453

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid?
The IUPAC name of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid (CID 3022201) is 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid?
The canonical SMILES for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid?
The InChIKey is GWJVUODILLGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17(14,15)16/h(H,14,15,16).
What are the key properties of 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid?
1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid has a molecular weight of 300.10 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid is sourced from PubChem (CID 3022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).