2-(2,2,3,3,3-pentafluoropropyl)oxirane

C5H5F5O — CID 22660331

IUPAC2-(2,2,3,3,3-pentafluoropropyl)oxirane
SMILESFC(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C5H5F5O/c6-4(7,5(8,9)10)1-3-2-11-3/h3H,1-2H2
InChIKeyRSONLRWFEVQLQC-UHFFFAOYSA-N
MW176.08 g/mol
LogP1.97
Rot. Bonds2

About 2-(2,2,3,3,3-pentafluoropropyl)oxirane

2-(2,2,3,3,3-pentafluoropropyl)oxirane (PubChem CID 22660331) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropyl)oxirane
PubChem CID22660331
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name2-(2,2,3,3,3-pentafluoropropyl)oxirane
SMILESFC(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C5H5F5O/c6-4(7,5(8,9)10)1-3-2-11-3/h3H,1-2H2
InChIKeyRSONLRWFEVQLQC-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 51.97
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-(2,2,3,3,3-pentafluoropropyl)oxirane?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropyl)oxirane (CID 22660331) is 2-(2,2,3,3,3-pentafluoropropyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropyl)oxirane is FC(F)(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropyl)oxirane?
The InChIKey is RSONLRWFEVQLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c6-4(7,5(8,9)10)1-3-2-11-3/h3H,1-2H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropyl)oxirane?
2-(2,2,3,3,3-pentafluoropropyl)oxirane has a molecular weight of 176.08 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropyl)oxirane is sourced from PubChem (CID 22660331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).