1-fluorononyl trifluoromethanesulfonate

C10H18F4O3S — CID 122369701

IUPAC1-fluorononyl trifluoromethanesulfonate
SMILESCCCCCCCCC(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F4O3S/c1-2-3-4-5-6-7-8-9(11)17-18(15,16)10(12,13)14/h9H,2-8H2,1H3
InChIKeyZUHDINSYYMVOLL-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.90
Rot. Bonds9

About 1-fluorononyl trifluoromethanesulfonate

1-fluorononyl trifluoromethanesulfonate (PubChem CID 122369701) has the molecular formula C10H18F4O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-fluorononyl trifluoromethanesulfonate.

Molecular Properties

Compound Name1-fluorononyl trifluoromethanesulfonate
PubChem CID122369701
Molecular FormulaC10H18F4O3S
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-fluorononyl trifluoromethanesulfonate
SMILESCCCCCCCCC(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F4O3S/c1-2-3-4-5-6-7-8-9(11)17-18(15,16)10(12,13)14/h9H,2-8H2,1H3
InChIKeyZUHDINSYYMVOLL-UHFFFAOYSA-N
XLogP3.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

amino(trioctyl)phosphanium;methyl trifluoromethanesulfonate
CID 174815242
3-(trifluoromethylsulfonyloxy)heptan-2-yl trifluoromethanesulfonate
CID 89439711
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
1,1,1,2,2,3-hexafluoroundecan-4-yl hydrogen sulfate
CID 175684928
tricosane;trifluoromethanesulfonic acid
CID 161255361
(9,9,10,10,11,11,12,12,13,13,14,14,14-tridecafluoro-7-iodotetradec-7-en-6-yl) trifluoromethanesulfonate
CID 162397467
2-fluoro-3-hydroxytetradecanoic acid
CID 15738774
pentadecyl 1-fluorodecane-1-sulfonate
CID 175165524
1-fluorooctyl nonanoate
CID 175208382
octadecyl 1-fluoroundecane-1-sulfonate
CID 175528772
[2-decoxy-3-(trifluoromethylsulfonyloxy)propyl] trifluoromethanesulfonate
CID 19891154
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783

Frequently Asked Questions

What is the IUPAC name of 1-fluorononyl trifluoromethanesulfonate?
The IUPAC name of 1-fluorononyl trifluoromethanesulfonate (CID 122369701) is 1-fluorononyl trifluoromethanesulfonate.
What is the SMILES notation for 1-fluorononyl trifluoromethanesulfonate?
The canonical SMILES for 1-fluorononyl trifluoromethanesulfonate is CCCCCCCCC(F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-fluorononyl trifluoromethanesulfonate?
The InChIKey is ZUHDINSYYMVOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O3S/c1-2-3-4-5-6-7-8-9(11)17-18(15,16)10(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 1-fluorononyl trifluoromethanesulfonate?
1-fluorononyl trifluoromethanesulfonate has a molecular weight of 294.31 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorononyl trifluoromethanesulfonate is sourced from PubChem (CID 122369701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).