[(Z)-non-1-enyl] trifluoromethanesulfonate

C10H17F3O3S — CID 154718374

IUPAC[(Z)-non-1-enyl] trifluoromethanesulfonate
SMILESCCCCCCC/C=C\OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O3S/c1-2-3-4-5-6-7-8-9-16-17(14,15)10(11,12)13/h8-9H,2-7H2,1H3/b9-8-
InChIKeyNUKHGIYWIYHTFG-HJWRWDBZSA-N
MW274.30 g/mol
LogP3.73
Rot. Bonds8

About [(Z)-non-1-enyl] trifluoromethanesulfonate

[(Z)-non-1-enyl] trifluoromethanesulfonate (PubChem CID 154718374) has the molecular formula C10H17F3O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is [(Z)-non-1-enyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(Z)-non-1-enyl] trifluoromethanesulfonate
PubChem CID154718374
Molecular FormulaC10H17F3O3S
Molecular Weight274.30 g/mol
Exact Mass274.09
IUPAC Name[(Z)-non-1-enyl] trifluoromethanesulfonate
SMILESCCCCCCC/C=C\OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O3S/c1-2-3-4-5-6-7-8-9-16-17(14,15)10(11,12)13/h8-9H,2-7H2,1H3/b9-8-
InChIKeyNUKHGIYWIYHTFG-HJWRWDBZSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.73
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': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-non-1-enyl] trifluoromethanesulfonate?
The IUPAC name of [(Z)-non-1-enyl] trifluoromethanesulfonate (CID 154718374) is [(Z)-non-1-enyl] trifluoromethanesulfonate.
What is the SMILES notation for [(Z)-non-1-enyl] trifluoromethanesulfonate?
The canonical SMILES for [(Z)-non-1-enyl] trifluoromethanesulfonate is CCCCCCC/C=C\OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(Z)-non-1-enyl] trifluoromethanesulfonate?
The InChIKey is NUKHGIYWIYHTFG-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17F3O3S/c1-2-3-4-5-6-7-8-9-16-17(14,15)10(11,12)13/h8-9H,2-7H2,1H3/b9-8-.
What are the key properties of [(Z)-non-1-enyl] trifluoromethanesulfonate?
[(Z)-non-1-enyl] trifluoromethanesulfonate has a molecular weight of 274.30 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-1-enyl] trifluoromethanesulfonate is sourced from PubChem (CID 154718374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).