(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid

C8H2F14O3S — CID 163323974

IUPAC(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)/C(F)=C(\F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O3S/c9-1(3(11)26(23,24)25)2(10)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,(H,23,24,25)/b3-1-
InChIKeyMPFJTJMFVQTDIT-IWQZZHSRSA-N
MW444.14 g/mol
LogP4.42
Rot. Bonds6

About (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid

(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid (PubChem CID 163323974) has the molecular formula C8H2F14O3S and a molecular weight of 444.14 g/mol. Its IUPAC name is (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid
PubChem CID163323974
Molecular FormulaC8H2F14O3S
Molecular Weight444.14 g/mol
Exact Mass443.95
IUPAC Name(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)/C(F)=C(\F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O3S/c9-1(3(11)26(23,24)25)2(10)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,(H,23,24,25)/b3-1-
InChIKeyMPFJTJMFVQTDIT-IWQZZHSRSA-N
XLogP4.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoroundecane-1-sulfonic acid
CID 134206322
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
CID 87936901
1,1,2,2,3,3,4,5,6,7,7,7-dodecafluorohept-5-ene-1-sulfonic acid
CID 165362882
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-2-sulfonic acid
CID 174850316
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluoro-2-methylidenedecanoic acid
CID 87141883
1,2,2,3,3,4,4,4-octafluorobutane-1-sulfonic acid
CID 134206529
1-bromo-1,2,2,3,3,4,4,5,5,6,6,6-dodecafluorohexane-1-sulfonic acid
CID 175485071
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 134207418
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane-1-sulfonate
CID 134206654
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1-oxodecane-1-sulfonic acid
CID 175390619
1,1,2,2,3,4,5,6,6,6-decafluorohex-4-ene-1-sulfonic acid
CID 165364116

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid?
The IUPAC name of (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid (CID 163323974) is (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid.
What is the SMILES notation for (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid?
The canonical SMILES for (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid is O=S(=O)(O)/C(F)=C(\F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid?
The InChIKey is MPFJTJMFVQTDIT-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H2F14O3S/c9-1(3(11)26(23,24)25)2(10)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h2H,(H,23,24,25)/b3-1-.
What are the key properties of (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid?
(Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid has a molecular weight of 444.14 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid is sourced from PubChem (CID 163323974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).