potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate

C7H7F8KO3S — CID 134206359

IUPACpotassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+]
InChIInChI=1S/C7H8F8O3S.K/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)19(16,17)18;/h1-7H,(H,16,17,18);/q;+1/p-1
InChIKeyIHPQOCBYXKYVJM-UHFFFAOYSA-M
MW362.28 g/mol
LogP-1.21
Rot. Bonds7

About potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate

potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate (PubChem CID 134206359) has the molecular formula C7H7F8KO3S and a molecular weight of 362.28 g/mol. Its IUPAC name is potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate
PubChem CID134206359
Molecular FormulaC7H7F8KO3S
Molecular Weight362.28 g/mol
Exact Mass361.96
IUPAC Namepotassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+]
InChIInChI=1S/C7H8F8O3S.K/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)19(16,17)18;/h1-7H,(H,16,17,18);/q;+1/p-1
InChIKeyIHPQOCBYXKYVJM-UHFFFAOYSA-M
XLogP-1.21
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 5-1.21
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 1,2,3,4,4-pentafluorobutane-1-sulfonate
CID 134206696
potassium 1,2,2,3,4,5,6,7,8,8-decafluorooctane-1-sulfonate
CID 134207096
potassium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134206944
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134207024
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484
potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,18-octadecafluorooctadecanoic acid
CID 163324532
potassium 1,2,2,3,4,4-hexafluorobutane-1-sulfonate
CID 134206422

Frequently Asked Questions

What is the IUPAC name of potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate?
The IUPAC name of potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate (CID 134206359) is potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate.
What is the SMILES notation for potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate?
The canonical SMILES for potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate is O=S(=O)([O-])C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.[K+].
What is the InChIKey of potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate?
The InChIKey is IHPQOCBYXKYVJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8F8O3S.K/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15)19(16,17)18;/h1-7H,(H,16,17,18);/q;+1/p-1.
What are the key properties of potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate?
potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate has a molecular weight of 362.28 g/mol, XLogP of -1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate is sourced from PubChem (CID 134206359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).