tricosyl 2,2,3,3,3-pentafluoropropanoate

C26H47F5O2 — CID 91692903

IUPACtricosyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H47F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-24(32)25(27,28)26(29,30)31/h2-23H2,1H3
InChIKeyWJBCEVFPSUTMSD-UHFFFAOYSA-N
MW486.65 g/mol
LogP9.94
Rot. Bonds23

About tricosyl 2,2,3,3,3-pentafluoropropanoate

tricosyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91692903) has the molecular formula C26H47F5O2 and a molecular weight of 486.65 g/mol. Its IUPAC name is tricosyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Nametricosyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91692903
Molecular FormulaC26H47F5O2
Molecular Weight486.65 g/mol
Exact Mass486.35
IUPAC Nametricosyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H47F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-24(32)25(27,28)26(29,30)31/h2-23H2,1H3
InChIKeyWJBCEVFPSUTMSD-UHFFFAOYSA-N
XLogP9.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Myristyl Acetate
CID 12531
Cetyl Acetate
CID 12393
Octadecyl acetate
CID 69968
Dodecyl butyrate
CID 245572
Arachidyl Propionate
CID 94615
Myristyl propionate
CID 22589
Hexadecyl propionate
CID 80355
1H,1H,2H,2H-Perfluorooctyl isobutanoate
CID 2776312
Acetic acid, C>19-alkyl esters
CID 110347
Nonadecyl acetate
CID 537013
Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 537298
1-Heptadecanol, 1-acetate
CID 69967

Frequently Asked Questions

What is the IUPAC name of tricosyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of tricosyl 2,2,3,3,3-pentafluoropropanoate (CID 91692903) is tricosyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for tricosyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for tricosyl 2,2,3,3,3-pentafluoropropanoate is CCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of tricosyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is WJBCEVFPSUTMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33-24(32)25(27,28)26(29,30)31/h2-23H2,1H3.
What are the key properties of tricosyl 2,2,3,3,3-pentafluoropropanoate?
tricosyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 486.65 g/mol, XLogP of 9.94, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91692903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).