tricosyl 2,2,2-trifluoroacetate

C25H47F3O2 — CID 14574257

IUPACtricosyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C25H47F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24(29)25(26,27)28/h2-23H2,1H3
InChIKeyJOCVGXYCINXQCU-UHFFFAOYSA-N
MW436.64 g/mol
LogP9.30
Rot. Bonds22

About tricosyl 2,2,2-trifluoroacetate

tricosyl 2,2,2-trifluoroacetate (PubChem CID 14574257) has the molecular formula C25H47F3O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is tricosyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametricosyl 2,2,2-trifluoroacetate
PubChem CID14574257
Molecular FormulaC25H47F3O2
Molecular Weight436.64 g/mol
Exact Mass436.35
IUPAC Nametricosyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C25H47F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24(29)25(26,27)28/h2-23H2,1H3
InChIKeyJOCVGXYCINXQCU-UHFFFAOYSA-N
XLogP9.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracosyl 2,2,2-trifluoroacetate
CID 91692950
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 tricosyl 2,2,2-trifluoroacetate?
The IUPAC name of tricosyl 2,2,2-trifluoroacetate (CID 14574257) is tricosyl 2,2,2-trifluoroacetate.
What is the SMILES notation for tricosyl 2,2,2-trifluoroacetate?
The canonical SMILES for tricosyl 2,2,2-trifluoroacetate is CCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F.
What is the InChIKey of tricosyl 2,2,2-trifluoroacetate?
The InChIKey is JOCVGXYCINXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-24(29)25(26,27)28/h2-23H2,1H3.
What are the key properties of tricosyl 2,2,2-trifluoroacetate?
tricosyl 2,2,2-trifluoroacetate has a molecular weight of 436.64 g/mol, XLogP of 9.30, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 14574257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).