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

C6HF11O — CID 10756465

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-3(8,9)1-2(18-1,5(12,13)14)4(10,11)6(15,16)17/h1H
InChIKeyPHLKOSGWWLGUOZ-UHFFFAOYSA-N
MW298.05 g/mol
LogP3.45
Rot. Bonds1

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

2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (PubChem CID 10756465) has the molecular formula C6HF11O and a molecular weight of 298.05 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
PubChem CID10756465
Molecular FormulaC6HF11O
Molecular Weight298.05 g/mol
Exact Mass297.99
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-3(8,9)1-2(18-1,5(12,13)14)4(10,11)6(15,16)17/h1H
InChIKeyPHLKOSGWWLGUOZ-UHFFFAOYSA-N
XLogP3.45
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.05
LogP ≤ 53.45
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-(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-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (CID 10756465) is 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C1OC1(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is PHLKOSGWWLGUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O/c7-3(8,9)1-2(18-1,5(12,13)14)4(10,11)6(15,16)17/h1H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 298.05 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 10756465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).