2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane

C6F12O — CID 13033399

IUPAC2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-2(8,5(13,14)15)1(4(10,11)12)3(9,19-1)6(16,17)18
InChIKeyYCYZVIAPXOKDFO-UHFFFAOYSA-N
MW316.04 g/mol
LogP3.74
Rot. Bonds1

About 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane

2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (PubChem CID 13033399) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
PubChem CID13033399
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C6F12O/c7-2(8,5(13,14)15)1(4(10,11)12)3(9,19-1)6(16,17)18
InChIKeyYCYZVIAPXOKDFO-UHFFFAOYSA-N
XLogP3.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane (CID 13033399) is 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is YCYZVIAPXOKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O/c7-2(8,5(13,14)15)1(4(10,11)12)3(9,19-1)6(16,17)18.
What are the key properties of 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane?
2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 316.04 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 13033399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).