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

C8F8O — CID 87948623

IUPAC2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane
SMILESFc1c(F)c(F)c(C2(F)OC2(F)F)c(F)c1F
InChIInChI=1S/C8F8O/c9-2-1(7(14)8(15,16)17-7)3(10)5(12)6(13)4(2)11
InChIKeyLACOBRCUYSNUSS-UHFFFAOYSA-N
MW264.07 g/mol
LogP3.13
Rot. Bonds1

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

2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane (PubChem CID 87948623) has the molecular formula C8F8O and a molecular weight of 264.07 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane
PubChem CID87948623
Molecular FormulaC8F8O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane
SMILESFc1c(F)c(F)c(C2(F)OC2(F)F)c(F)c1F
InChIInChI=1S/C8F8O/c9-2-1(7(14)8(15,16)17-7)3(10)5(12)6(13)4(2)11
InChIKeyLACOBRCUYSNUSS-UHFFFAOYSA-N
XLogP3.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 53.13
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-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane?
The IUPAC name of 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane (CID 87948623) is 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane.
What is the SMILES notation for 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane?
The canonical SMILES for 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane is Fc1c(F)c(F)c(C2(F)OC2(F)F)c(F)c1F.
What is the InChIKey of 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane?
The InChIKey is LACOBRCUYSNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F8O/c9-2-1(7(14)8(15,16)17-7)3(10)5(12)6(13)4(2)11.
What are the key properties of 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane?
2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane has a molecular weight of 264.07 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)oxirane is sourced from PubChem (CID 87948623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).