(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate

C8HF7O2 — CID 15334258

IUPAC(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1c(F)c(F)cc(F)c1F)C(F)(F)F
InChIInChI=1S/C8HF7O2/c9-2-1-3(10)5(12)6(4(2)11)17-7(16)8(13,14)15/h1H
InChIKeyOJLSSULCTKBVOB-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.71
Rot. Bonds1

About (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate

(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate (PubChem CID 15334258) has the molecular formula C8HF7O2 and a molecular weight of 262.08 g/mol. Its IUPAC name is (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate
PubChem CID15334258
Molecular FormulaC8HF7O2
Molecular Weight262.08 g/mol
Exact Mass261.99
IUPAC Name(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1c(F)c(F)cc(F)c1F)C(F)(F)F
InChIInChI=1S/C8HF7O2/c9-2-1-3(10)5(12)6(4(2)11)17-7(16)8(13,14)15/h1H
InChIKeyOJLSSULCTKBVOB-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate (CID 15334258) is (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate is O=C(Oc1c(F)c(F)cc(F)c1F)C(F)(F)F.
What is the InChIKey of (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate?
The InChIKey is OJLSSULCTKBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF7O2/c9-2-1-3(10)5(12)6(4(2)11)17-7(16)8(13,14)15/h1H.
What are the key properties of (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate?
(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate has a molecular weight of 262.08 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 15334258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).