2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane

C5ClF9O — CID 86219176

IUPAC2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C5ClF9O/c6-4(12,13)2(9,10)1(7,8)3(11)5(14,15)16-3
InChIKeyQZWJGHOHZMYWBM-UHFFFAOYSA-N
MW282.49 g/mol
LogP3.38
Rot. Bonds3

About 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane

2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane (PubChem CID 86219176) has the molecular formula C5ClF9O and a molecular weight of 282.49 g/mol. Its IUPAC name is 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane.

Molecular Properties

Compound Name2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
PubChem CID86219176
Molecular FormulaC5ClF9O
Molecular Weight282.49 g/mol
Exact Mass281.95
IUPAC Name2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C1(F)OC1(F)F
InChIInChI=1S/C5ClF9O/c6-4(12,13)2(9,10)1(7,8)3(11)5(14,15)16-3
InChIKeyQZWJGHOHZMYWBM-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane?
The IUPAC name of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane (CID 86219176) is 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane.
What is the SMILES notation for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane?
The canonical SMILES for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane is FC(F)(Cl)C(F)(F)C(F)(F)C1(F)OC1(F)F.
What is the InChIKey of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane?
The InChIKey is QZWJGHOHZMYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF9O/c6-4(12,13)2(9,10)1(7,8)3(11)5(14,15)16-3.
What are the key properties of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane?
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane has a molecular weight of 282.49 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane is sourced from PubChem (CID 86219176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).