(2,3,4,5-tetrafluorophenyl) acetate

C8H4F4O2 — CID 59422645

IUPAC(2,3,4,5-tetrafluorophenyl) acetate
SMILESCC(=O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
InChIKeyAVGZOAVBSWYPEL-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.17
Rot. Bonds1

About (2,3,4,5-tetrafluorophenyl) acetate

(2,3,4,5-tetrafluorophenyl) acetate (PubChem CID 59422645) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is (2,3,4,5-tetrafluorophenyl) acetate.

Molecular Properties

Compound Name(2,3,4,5-tetrafluorophenyl) acetate
PubChem CID59422645
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name(2,3,4,5-tetrafluorophenyl) acetate
SMILESCC(=O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
InChIKeyAVGZOAVBSWYPEL-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluorophenyl) acetate?
The IUPAC name of (2,3,4,5-tetrafluorophenyl) acetate (CID 59422645) is (2,3,4,5-tetrafluorophenyl) acetate.
What is the SMILES notation for (2,3,4,5-tetrafluorophenyl) acetate?
The canonical SMILES for (2,3,4,5-tetrafluorophenyl) acetate is CC(=O)Oc1cc(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5-tetrafluorophenyl) acetate?
The InChIKey is AVGZOAVBSWYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3.
What are the key properties of (2,3,4,5-tetrafluorophenyl) acetate?
(2,3,4,5-tetrafluorophenyl) acetate has a molecular weight of 208.11 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluorophenyl) acetate is sourced from PubChem (CID 59422645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).