decyl trifluoromethanesulfonate

C11H21F3O3S — CID 10880793

IUPACdecyl trifluoromethanesulfonate
SMILESCCCCCCCCCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H21F3O3S/c1-2-3-4-5-6-7-8-9-10-17-18(15,16)11(12,13)14/h2-10H2,1H3
InChIKeyKCAFEQQLYHEUQK-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.99
Rot. Bonds10

About decyl trifluoromethanesulfonate

decyl trifluoromethanesulfonate (PubChem CID 10880793) has the molecular formula C11H21F3O3S and a molecular weight of 290.35 g/mol. Its IUPAC name is decyl trifluoromethanesulfonate.

Molecular Properties

Compound Namedecyl trifluoromethanesulfonate
PubChem CID10880793
Molecular FormulaC11H21F3O3S
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Namedecyl trifluoromethanesulfonate
SMILESCCCCCCCCCCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H21F3O3S/c1-2-3-4-5-6-7-8-9-10-17-18(15,16)11(12,13)14/h2-10H2,1H3
InChIKeyKCAFEQQLYHEUQK-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.99
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

Dodecyl methanesulfonate
CID 247385
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methanesulfonate
CID 15343311
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl trifluoromethanesulfonate
CID 11016909
Nonyl methanesulfonate
CID 15669353
Octyl triflate
CID 10869071
Methanesulfonic acid, trifluoro-, hexyl ester
CID 10889835
Octadecyl triflate
CID 10916438
Methanesulfonic acid, trifluoro-, hexadecyl ester
CID 11014229
Trifluoromethanesulfonic acid dodecyl ester
CID 11056250
Nonyltriflate
CID 21785764
11-Bromoundecyl trifluoromethanesulfonate
CID 135074195
Undecyl methanesulfonate
CID 2817960

Frequently Asked Questions

What is the IUPAC name of decyl trifluoromethanesulfonate?
The IUPAC name of decyl trifluoromethanesulfonate (CID 10880793) is decyl trifluoromethanesulfonate.
What is the SMILES notation for decyl trifluoromethanesulfonate?
The canonical SMILES for decyl trifluoromethanesulfonate is CCCCCCCCCCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of decyl trifluoromethanesulfonate?
The InChIKey is KCAFEQQLYHEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3S/c1-2-3-4-5-6-7-8-9-10-17-18(15,16)11(12,13)14/h2-10H2,1H3.
What are the key properties of decyl trifluoromethanesulfonate?
decyl trifluoromethanesulfonate has a molecular weight of 290.35 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl trifluoromethanesulfonate is sourced from PubChem (CID 10880793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).