tetracosyl 2,2,2-trifluoroacetate

C26H49F3O2 — CID 91692950

IUPACtetracosyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C26H49F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-25(30)26(27,28)29/h2-24H2,1H3
InChIKeyDOXMLSKFEKEMHX-UHFFFAOYSA-N
MW450.67 g/mol
LogP9.69
Rot. Bonds23

About tetracosyl 2,2,2-trifluoroacetate

tetracosyl 2,2,2-trifluoroacetate (PubChem CID 91692950) has the molecular formula C26H49F3O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is tetracosyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametetracosyl 2,2,2-trifluoroacetate
PubChem CID91692950
Molecular FormulaC26H49F3O2
Molecular Weight450.67 g/mol
Exact Mass450.37
IUPAC Nametetracosyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C26H49F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-25(30)26(27,28)29/h2-24H2,1H3
InChIKeyDOXMLSKFEKEMHX-UHFFFAOYSA-N
XLogP9.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tetracosyl 2,2,2-trifluoroacetate 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

tricosyl 2,2,2-trifluoroacetate
CID 14574257
octyl 2,2,2-trifluoroacetate
CID 520219
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
dihexyl 2,2-difluoropropanedioate
CID 154336764
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
CID 91691240
hexyl 2,2-difluoro-2-methylsulfanylacetate
CID 12070549
hexyl 2,3,3-trifluoro-2-hydroxypropanoate
CID 54537102
1-O-octyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714605
1-O-nonyl 3-O-tetradecyl 2,2-dimethylpropanedioate
CID 91714620

Frequently Asked Questions

What is the IUPAC name of tetracosyl 2,2,2-trifluoroacetate?
The IUPAC name of tetracosyl 2,2,2-trifluoroacetate (CID 91692950) is tetracosyl 2,2,2-trifluoroacetate.
What is the SMILES notation for tetracosyl 2,2,2-trifluoroacetate?
The canonical SMILES for tetracosyl 2,2,2-trifluoroacetate is CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F.
What is the InChIKey of tetracosyl 2,2,2-trifluoroacetate?
The InChIKey is DOXMLSKFEKEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-25(30)26(27,28)29/h2-24H2,1H3.
What are the key properties of tetracosyl 2,2,2-trifluoroacetate?
tetracosyl 2,2,2-trifluoroacetate has a molecular weight of 450.67 g/mol, XLogP of 9.69, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91692950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).