2-(1,1,2,2,2-pentafluoroethyl)oxirane

C4H3F5O — CID 23089516

IUPAC2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1CO1
InChIInChI=1S/C4H3F5O/c5-3(6,2-1-10-2)4(7,8)9/h2H,1H2
InChIKeyVQWGFENTQFTYAN-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.58
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)oxirane

2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 23089516) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID23089516
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1CO1
InChIInChI=1S/C4H3F5O/c5-3(6,2-1-10-2)4(7,8)9/h2H,1H2
InChIKeyVQWGFENTQFTYAN-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.58
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)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)oxirane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 23089516) is 2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)oxirane is FC(F)(F)C(F)(F)C1CO1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is VQWGFENTQFTYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c5-3(6,2-1-10-2)4(7,8)9/h2H,1H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 162.06 g/mol, XLogP of 1.58, 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)oxirane is sourced from PubChem (CID 23089516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).