2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane

C4H3F5O — CID 122549567

IUPAC2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane
SMILESCC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H3F5O/c1-2(5,6)3(7)4(8,9)10-3/h1H3
InChIKeyNDEUCEHTUMGHOZ-UHFFFAOYSA-N
MW162.06 g/mol
LogP1.93
Rot. Bonds1

About 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane

2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane (PubChem CID 122549567) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane
PubChem CID122549567
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane
SMILESCC(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C4H3F5O/c1-2(5,6)3(7)4(8,9)10-3/h1H3
InChIKeyNDEUCEHTUMGHOZ-UHFFFAOYSA-N
XLogP1.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.93
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-(1,1-difluoroethyl)-2,3,3-trifluorooxirane?
The IUPAC name of 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane (CID 122549567) is 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane?
The canonical SMILES for 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane is CC(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane?
The InChIKey is NDEUCEHTUMGHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c1-2(5,6)3(7)4(8,9)10-3/h1H3.
What are the key properties of 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane?
2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane has a molecular weight of 162.06 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-2,3,3-trifluorooxirane is sourced from PubChem (CID 122549567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).