trityl 2,2,2-trifluoroacetate

C21H15F3O2 — CID 15040012

IUPACtrityl 2,2,2-trifluoroacetate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H15F3O2/c22-21(23,24)19(25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRESFKJVKDJYYDQ-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.08
Rot. Bonds4

About trityl 2,2,2-trifluoroacetate

trityl 2,2,2-trifluoroacetate (PubChem CID 15040012) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is trityl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametrityl 2,2,2-trifluoroacetate
PubChem CID15040012
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Nametrityl 2,2,2-trifluoroacetate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H15F3O2/c22-21(23,24)19(25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRESFKJVKDJYYDQ-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trityl 2,2,2-trifluoroacetate?
The IUPAC name of trityl 2,2,2-trifluoroacetate (CID 15040012) is trityl 2,2,2-trifluoroacetate.
What is the SMILES notation for trityl 2,2,2-trifluoroacetate?
The canonical SMILES for trityl 2,2,2-trifluoroacetate is O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of trityl 2,2,2-trifluoroacetate?
The InChIKey is RESFKJVKDJYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c22-21(23,24)19(25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of trityl 2,2,2-trifluoroacetate?
trityl 2,2,2-trifluoroacetate has a molecular weight of 356.34 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trityl 2,2,2-trifluoroacetate is sourced from PubChem (CID 15040012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).