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

C6HF11O — CID 88593763

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14/h1H
InChIKeyWLAOFZIOIFKZHK-UHFFFAOYSA-N
MW298.05 g/mol
LogP3.45
Rot. Bonds1

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

3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane (PubChem CID 88593763) has the molecular formula C6HF11O and a molecular weight of 298.05 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane
PubChem CID88593763
Molecular FormulaC6HF11O
Molecular Weight298.05 g/mol
Exact Mass297.99
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1OC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14/h1H
InChIKeyWLAOFZIOIFKZHK-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane (CID 88593763) is 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C1OC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane?
The InChIKey is WLAOFZIOIFKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O/c7-3(8,6(15,16)17)1-2(18-1,4(9,10)11)5(12,13)14/h1H.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane?
3-(1,1,2,2,2-pentafluoroethyl)-2,2-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 3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 88593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).