2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane

C4H2F6O — CID 87220831

IUPAC2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane
SMILESFCC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6,7)3(8)4(9,10)11-3/h1H2
InChIKeyDRBZGGSGCGFGQA-UHFFFAOYSA-N
MW180.05 g/mol
LogP1.88
Rot. Bonds2

About 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane

2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane (PubChem CID 87220831) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane
PubChem CID87220831
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane
SMILESFCC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6,7)3(8)4(9,10)11-3/h1H2
InChIKeyDRBZGGSGCGFGQA-UHFFFAOYSA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxyperfluorobutane
CID 12549351
2-(Pentafluoroethyl)oxirane
CID 23089516
2,2,3-Trifluoro-3-(1,1,2,2-tetrafluoroethyl)oxirane
CID 12549350
2-(Difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane
CID 15104122
2-(Difluoromethyl)-2,3,3-trifluorooxirane
CID 17798504
2,2-Difluoro-3-(fluoromethyl)-3-(trifluoromethyl)oxirane
CID 21888608
1,1,1,2,2,3,3,4,5,5-Decafluoro-4-(trifluoromethoxy)pentane
CID 54114423
1,2-Difluoro-1-(trifluoromethoxy)cyclopropane
CID 69418110
2,3-Difluoro-2-(fluoromethyl)-3-(trifluoromethyl)oxirane
CID 87220922
2,2,3-Trifluoro-3-(fluoromethyl)oxirane
CID 89191286
2,3-Difluoro-2-methyl-3-(trifluoromethyl)oxirane
CID 89973363
2,2,3-Trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
CID 90262460

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane?
The IUPAC name of 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane (CID 87220831) is 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane?
The canonical SMILES for 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane is FCC(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane?
The InChIKey is DRBZGGSGCGFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-1-2(6,7)3(8)4(9,10)11-3/h1H2.
What are the key properties of 2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane?
2,2,3-trifluoro-3-(1,1,2-trifluoroethyl)oxirane has a molecular weight of 180.05 g/mol, XLogP of 1.88, 2 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-trifluoroethyl)oxirane is sourced from PubChem (CID 87220831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).