5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane

C7H8F6O — CID 20725476

IUPAC5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
SMILESCCC1(F)OC(F)(F)C(F)(F)C1CF
InChIInChI=1S/C7H8F6O/c1-2-5(9)4(3-8)6(10,11)7(12,13)14-5/h4H,2-3H2,1H3
InChIKeyNXQQUCBNGGUKAR-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.91
Rot. Bonds2

About 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane

5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane (PubChem CID 20725476) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane.

Molecular Properties

Compound Name5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
PubChem CID20725476
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
SMILESCCC1(F)OC(F)(F)C(F)(F)C1CF
InChIInChI=1S/C7H8F6O/c1-2-5(9)4(3-8)6(10,11)7(12,13)14-5/h4H,2-3H2,1H3
InChIKeyNXQQUCBNGGUKAR-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane?
The IUPAC name of 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane (CID 20725476) is 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane.
What is the SMILES notation for 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane?
The canonical SMILES for 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane is CCC1(F)OC(F)(F)C(F)(F)C1CF.
What is the InChIKey of 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane?
The InChIKey is NXQQUCBNGGUKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-2-5(9)4(3-8)6(10,11)7(12,13)14-5/h4H,2-3H2,1H3.
What are the key properties of 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane?
5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane has a molecular weight of 222.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane is sourced from PubChem (CID 20725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).