non-1-ene;trifluoromethanesulfonic acid

C10H19F3O3S — CID 175916091

IUPACnon-1-ene;trifluoromethanesulfonic acid
SMILESC=CCCCCCCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C9H18.CHF3O3S/c1-3-5-7-9-8-6-4-2;2-1(3,4)8(5,6)7/h3H,1,4-9H2,2H3;(H,5,6,7)
InChIKeyXSZOGUMWOAOQFH-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.93
Rot. Bonds6

About non-1-ene;trifluoromethanesulfonic acid

non-1-ene;trifluoromethanesulfonic acid (PubChem CID 175916091) has the molecular formula C10H19F3O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is non-1-ene;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namenon-1-ene;trifluoromethanesulfonic acid
PubChem CID175916091
Molecular FormulaC10H19F3O3S
Molecular Weight276.32 g/mol
Exact Mass276.10
IUPAC Namenon-1-ene;trifluoromethanesulfonic acid
SMILESC=CCCCCCCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C9H18.CHF3O3S/c1-3-5-7-9-8-6-4-2;2-1(3,4)8(5,6)7/h3H,1,4-9H2,2H3;(H,5,6,7)
InChIKeyXSZOGUMWOAOQFH-UHFFFAOYSA-N
XLogP3.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of non-1-ene;trifluoromethanesulfonic acid?
The IUPAC name of non-1-ene;trifluoromethanesulfonic acid (CID 175916091) is non-1-ene;trifluoromethanesulfonic acid.
What is the SMILES notation for non-1-ene;trifluoromethanesulfonic acid?
The canonical SMILES for non-1-ene;trifluoromethanesulfonic acid is C=CCCCCCCC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of non-1-ene;trifluoromethanesulfonic acid?
The InChIKey is XSZOGUMWOAOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.CHF3O3S/c1-3-5-7-9-8-6-4-2;2-1(3,4)8(5,6)7/h3H,1,4-9H2,2H3;(H,5,6,7).
What are the key properties of non-1-ene;trifluoromethanesulfonic acid?
non-1-ene;trifluoromethanesulfonic acid has a molecular weight of 276.32 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene;trifluoromethanesulfonic acid is sourced from PubChem (CID 175916091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).