2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane

C5H3F7O — CID 90262460

IUPAC2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
SMILESCC(F)(C(F)(F)F)C1(F)OC1(F)F
InChIInChI=1S/C5H3F7O/c1-2(6,4(8,9)10)3(7)5(11,12)13-3/h1H3
InChIKeyFGYDDZPJFKWIRZ-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.57
Rot. Bonds1

About 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane

2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane (PubChem CID 90262460) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
PubChem CID90262460
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
SMILESCC(F)(C(F)(F)F)C1(F)OC1(F)F
InChIInChI=1S/C5H3F7O/c1-2(6,4(8,9)10)3(7)5(11,12)13-3/h1H3
InChIKeyFGYDDZPJFKWIRZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The IUPAC name of 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane (CID 90262460) is 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The canonical SMILES for 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane is CC(F)(C(F)(F)F)C1(F)OC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The InChIKey is FGYDDZPJFKWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-2(6,4(8,9)10)3(7)5(11,12)13-3/h1H3.
What are the key properties of 2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
2,2,3-trifluoro-3-(1,1,1,2-tetrafluoropropan-2-yl)oxirane has a molecular weight of 212.06 g/mol, XLogP of 2.57, 1 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-(1,1,1,2-tetrafluoropropan-2-yl)oxirane is sourced from PubChem (CID 90262460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).