[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C12H15F9O3S — CID 11732336

IUPAC[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESCCCCCC/C=C\OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9O3S/c1-2-3-4-5-6-7-8-24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h7-8H,2-6H2,1H3/b8-7-
InChIKeyBEOGEWGPHBJDBG-FPLPWBNLSA-N
MW410.30 g/mol
LogP5.24
Rot. Bonds10

About [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 11732336) has the molecular formula C12H15F9O3S and a molecular weight of 410.30 g/mol. Its IUPAC name is [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Name[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID11732336
Molecular FormulaC12H15F9O3S
Molecular Weight410.30 g/mol
Exact Mass410.06
IUPAC Name[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESCCCCCC/C=C\OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F9O3S/c1-2-3-4-5-6-7-8-24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h7-8H,2-6H2,1H3/b8-7-
InChIKeyBEOGEWGPHBJDBG-FPLPWBNLSA-N
XLogP5.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate with MolForge

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Related Compounds

Hex-1-enyl trifluoromethanesulfonate
CID 90914171
Trifluoromethanesulfonic acid 1-heptenyl ester
CID 101452725
[(Z)-dec-1-enyl] trifluoromethanesulfonate
CID 101793985
[(Z)-non-1-enyl] trifluoromethanesulfonate
CID 154718374
1,1,2,2,3,3,4,4,4-nonafluoro-N-[[(Z)-hex-1-enoxy]-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-oxo-lambda6-sulfanylidene]butane-1-sulfonamide
CID 177855048
3-[(Z)-dec-1-enoxy]-4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azacyclohex-2-ene 1,1,3-trioxide
CID 177855049
[(E)-non-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 11761663
12,12-Difluorododec-1-enyl methanesulfonate
CID 88000504
2,2,2-trifluoroethyl (E)-hept-1-ene-1-sulfonate
CID 88547768
2,2,2-trifluoroethyl (E)-oct-1-ene-1-sulfonate
CID 88547772
2,2,2-Trifluoroethyl oct-1-ene-1-sulfonate
CID 123616601
2,2,2-Trifluoroethyl hept-1-ene-1-sulfonate
CID 123813360

Frequently Asked Questions

What is the IUPAC name of [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 11732336) is [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is CCCCCC/C=C\OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is BEOGEWGPHBJDBG-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H15F9O3S/c1-2-3-4-5-6-7-8-24-25(22,23)12(20,21)10(15,16)9(13,14)11(17,18)19/h7-8H,2-6H2,1H3/b8-7-.
What are the key properties of [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
[(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 410.30 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-1-enyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 11732336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).