2-(2,3,4,5,6-pentafluorophenyl)oxirane

C8H3F5O — CID 2775981

IUPAC2-(2,3,4,5,6-pentafluorophenyl)oxirane
SMILESFc1c(F)c(F)c(C2CO2)c(F)c1F
InChIInChI=1S/C8H3F5O/c9-4-3(2-1-14-2)5(10)7(12)8(13)6(4)11/h2H,1H2
InChIKeyZUZPTXICNGFRDG-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.45
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)oxirane

2-(2,3,4,5,6-pentafluorophenyl)oxirane (PubChem CID 2775981) has the molecular formula C8H3F5O and a molecular weight of 210.10 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)oxirane.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)oxirane
PubChem CID2775981
Molecular FormulaC8H3F5O
Molecular Weight210.10 g/mol
Exact Mass210.01
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)oxirane
SMILESFc1c(F)c(F)c(C2CO2)c(F)c1F
InChIInChI=1S/C8H3F5O/c9-4-3(2-1-14-2)5(10)7(12)8(13)6(4)11/h2H,1H2
InChIKeyZUZPTXICNGFRDG-UHFFFAOYSA-N
XLogP2.45
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)oxirane?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)oxirane (CID 2775981) is 2-(2,3,4,5,6-pentafluorophenyl)oxirane.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)oxirane?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)oxirane is Fc1c(F)c(F)c(C2CO2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)oxirane?
The InChIKey is ZUZPTXICNGFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O/c9-4-3(2-1-14-2)5(10)7(12)8(13)6(4)11/h2H,1H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)oxirane?
2-(2,3,4,5,6-pentafluorophenyl)oxirane has a molecular weight of 210.10 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)oxirane is sourced from PubChem (CID 2775981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).