tricosane;trifluoromethanesulfonic acid

C24H49F3O3S — CID 161255361

IUPACtricosane;trifluoromethanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C23H48.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h3-23H2,1-2H3;(H,5,6,7)
InChIKeyVBVKTILWWBXGAN-UHFFFAOYSA-N
MW474.71 g/mol
LogP9.61
Rot. Bonds20

About tricosane;trifluoromethanesulfonic acid

tricosane;trifluoromethanesulfonic acid (PubChem CID 161255361) has the molecular formula C24H49F3O3S and a molecular weight of 474.71 g/mol. Its IUPAC name is tricosane;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nametricosane;trifluoromethanesulfonic acid
PubChem CID161255361
Molecular FormulaC24H49F3O3S
Molecular Weight474.71 g/mol
Exact Mass474.34
IUPAC Nametricosane;trifluoromethanesulfonic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C23H48.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h3-23H2,1-2H3;(H,5,6,7)
InChIKeyVBVKTILWWBXGAN-UHFFFAOYSA-N
XLogP9.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.71
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tricosane;trifluoromethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
platinum;bis(trifluoromethanesulfonic acid);bis(trioctylphosphanium)
CID 131739274
9-octylheptadecan-9-ylphosphane;trifluoromethanesulfonic acid
CID 173110087
sulfuric acid;tridecane
CID 91872702
tributylborane;trifluoromethanesulfonic acid
CID 19887929
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
sodium;sulfuric acid;tetradecane
CID 170922474
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
12-fluorotriacontane-12-sulfonic acid;N-methylmethanamine
CID 175529094
8-fluorononadecane-8-sulfonic acid;N-methylmethanamine
CID 175161688
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377

Frequently Asked Questions

What is the IUPAC name of tricosane;trifluoromethanesulfonic acid?
The IUPAC name of tricosane;trifluoromethanesulfonic acid (CID 161255361) is tricosane;trifluoromethanesulfonic acid.
What is the SMILES notation for tricosane;trifluoromethanesulfonic acid?
The canonical SMILES for tricosane;trifluoromethanesulfonic acid is CCCCCCCCCCCCCCCCCCCCCCC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of tricosane;trifluoromethanesulfonic acid?
The InChIKey is VBVKTILWWBXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48.CHF3O3S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)8(5,6)7/h3-23H2,1-2H3;(H,5,6,7).
What are the key properties of tricosane;trifluoromethanesulfonic acid?
tricosane;trifluoromethanesulfonic acid has a molecular weight of 474.71 g/mol, XLogP of 9.61, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosane;trifluoromethanesulfonic acid is sourced from PubChem (CID 161255361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).