2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane

C6HF11O — CID 2776161

IUPAC2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C6HF11O/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)18-5/h1H
InChIKeyHEOHDUODTKFWBO-UHFFFAOYSA-N
MW298.05 g/mol
LogP3.45
Rot. Bonds4

About 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane

2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane (PubChem CID 2776161) has the molecular formula C6HF11O and a molecular weight of 298.05 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
PubChem CID2776161
Molecular FormulaC6HF11O
Molecular Weight298.05 g/mol
Exact Mass297.99
IUPAC Name2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C6HF11O/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)18-5/h1H
InChIKeyHEOHDUODTKFWBO-UHFFFAOYSA-N
XLogP3.45
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The IUPAC name of 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane (CID 2776161) is 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The canonical SMILES for 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane is FC(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
The InChIKey is HEOHDUODTKFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)18-5/h1H.
What are the key properties of 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane?
2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane has a molecular weight of 298.05 g/mol, XLogP of 3.45, 4 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-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane is sourced from PubChem (CID 2776161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).