2-(1,1,2,2-tetrafluoroethyl)oxirane

C4H4F4O — CID 87603604

IUPAC2-(1,1,2,2-tetrafluoroethyl)oxirane
SMILESFC(F)C(F)(F)C1CO1
InChIInChI=1S/C4H4F4O/c5-3(6)4(7,8)2-1-9-2/h2-3H,1H2
InChIKeyNGDWWPZOQMATIA-UHFFFAOYSA-N
MW144.07 g/mol
LogP1.29
Rot. Bonds2

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

2-(1,1,2,2-tetrafluoroethyl)oxirane (PubChem CID 87603604) has the molecular formula C4H4F4O and a molecular weight of 144.07 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethyl)oxirane
PubChem CID87603604
Molecular FormulaC4H4F4O
Molecular Weight144.07 g/mol
Exact Mass144.02
IUPAC Name2-(1,1,2,2-tetrafluoroethyl)oxirane
SMILESFC(F)C(F)(F)C1CO1
InChIInChI=1S/C4H4F4O/c5-3(6)4(7,8)2-1-9-2/h2-3H,1H2
InChIKeyNGDWWPZOQMATIA-UHFFFAOYSA-N
XLogP1.29
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.07
LogP ≤ 51.29
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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Related Compounds

(2,2,3,3,4,4,4-Heptafluorobutyl)oxirane
CID 2774886
2-(Heptafluoropropyl)oxirane
CID 4117033
2-(2,2,2-Trifluoroethyl)oxirane
CID 2782635
2-(Difluoromethyl)oxirane
CID 86215874
(2R)-2-(2,2,2-Trifluoroethyl)oxirane
CID 7016903
2-(1,1,2,2,2-Pentafluoroethyl)oxirane
CID 23089516
(R)-2-(Difluoromethyl)oxirane
CID 137958538
(2S)-2-(difluoromethyl)oxirane
CID 140883492
2,3-Bis(trifluoromethyl)oxirane
CID 12508112
2-(2,2,3-Trifluoropropyl)oxirane
CID 20651951
1,1,1,3-Tetrafluoro-2-(fluoromethoxy)propane
CID 20753200
2,3-Bis(difluoromethyl)oxirane
CID 21452214

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)oxirane?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethyl)oxirane (CID 87603604) is 2-(1,1,2,2-tetrafluoroethyl)oxirane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethyl)oxirane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethyl)oxirane is FC(F)C(F)(F)C1CO1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethyl)oxirane?
The InChIKey is NGDWWPZOQMATIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O/c5-3(6)4(7,8)2-1-9-2/h2-3H,1H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethyl)oxirane?
2-(1,1,2,2-tetrafluoroethyl)oxirane has a molecular weight of 144.07 g/mol, XLogP of 1.29, 2 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-tetrafluoroethyl)oxirane is sourced from PubChem (CID 87603604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).