1,1,2,3,3-pentafluoropropane-1-sulfonate

C3H2F5O3S- — CID 58298540

IUPAC1,1,2,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)C(F)F
InChIInChI=1S/C3H3F5O3S/c4-1(2(5)6)3(7,8)12(9,10)11/h1-2H,(H,9,10,11)/p-1
InChIKeyRCQZOELXRBANQF-UHFFFAOYSA-M
MW213.10 g/mol
LogP0.73
Rot. Bonds3

About 1,1,2,3,3-pentafluoropropane-1-sulfonate

1,1,2,3,3-pentafluoropropane-1-sulfonate (PubChem CID 58298540) has the molecular formula C3H2F5O3S- and a molecular weight of 213.10 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoropropane-1-sulfonate.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoropropane-1-sulfonate
PubChem CID58298540
Molecular FormulaC3H2F5O3S-
Molecular Weight213.10 g/mol
Exact Mass212.97
IUPAC Name1,1,2,3,3-pentafluoropropane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)C(F)F
InChIInChI=1S/C3H3F5O3S/c4-1(2(5)6)3(7,8)12(9,10)11/h1-2H,(H,9,10,11)/p-1
InChIKeyRCQZOELXRBANQF-UHFFFAOYSA-M
XLogP0.73
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
fluoromethanetrisulfonate
CID 59641509
potassium 1,2,2,3,4,4-hexafluorobutane-1-sulfonate
CID 134206422
bismuth tris(2-cyano-1,1,2-trifluoroethanesulfonate)
CID 173339741
phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
CID 87619719
dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 161156504
sulfanium 1,1,2-trifluoro-4-hydroxybutane-1-sulfonate
CID 160759853
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 141152926
lithium 1,1,2-trifluorohexane-1-sulfonate
CID 122481658
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoropropane-1-sulfonate?
The IUPAC name of 1,1,2,3,3-pentafluoropropane-1-sulfonate (CID 58298540) is 1,1,2,3,3-pentafluoropropane-1-sulfonate.
What is the SMILES notation for 1,1,2,3,3-pentafluoropropane-1-sulfonate?
The canonical SMILES for 1,1,2,3,3-pentafluoropropane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoropropane-1-sulfonate?
The InChIKey is RCQZOELXRBANQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F5O3S/c4-1(2(5)6)3(7,8)12(9,10)11/h1-2H,(H,9,10,11)/p-1.
What are the key properties of 1,1,2,3,3-pentafluoropropane-1-sulfonate?
1,1,2,3,3-pentafluoropropane-1-sulfonate has a molecular weight of 213.10 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoropropane-1-sulfonate is sourced from PubChem (CID 58298540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).