2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane

C8F16O — CID 13172582

IUPAC2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16O/c9-3(10,7(19,20)21)1(5(13,14)15)2(25-1,6(16,17)18)4(11,12)8(22,23)24
InChIKeyQLTSYJJBIMZGNM-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.01
Rot. Bonds2

About 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane

2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (PubChem CID 13172582) has the molecular formula C8F16O and a molecular weight of 416.06 g/mol. Its IUPAC name is 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
PubChem CID13172582
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16O/c9-3(10,7(19,20)21)1(5(13,14)15)2(25-1,6(16,17)18)4(11,12)8(22,23)24
InChIKeyQLTSYJJBIMZGNM-UHFFFAOYSA-N
XLogP5.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (CID 13172582) is 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is QLTSYJJBIMZGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O/c9-3(10,7(19,20)21)1(5(13,14)15)2(25-1,6(16,17)18)4(11,12)8(22,23)24.
What are the key properties of 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 416.06 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 13172582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).