2,3,3,4,4-pentafluoro-2-propyloxolane

C7H9F5O — CID 18954529

IUPAC2,3,3,4,4-pentafluoro-2-propyloxolane
SMILESCCCC1(F)OCC(F)(F)C1(F)F
InChIInChI=1S/C7H9F5O/c1-2-3-6(10)7(11,12)5(8,9)4-13-6/h2-4H2,1H3
InChIKeySPKWNDVTZJWUEO-UHFFFAOYSA-N
MW204.14 g/mol
LogP2.75
Rot. Bonds2

About 2,3,3,4,4-pentafluoro-2-propyloxolane

2,3,3,4,4-pentafluoro-2-propyloxolane (PubChem CID 18954529) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is 2,3,3,4,4-pentafluoro-2-propyloxolane.

Molecular Properties

Compound Name2,3,3,4,4-pentafluoro-2-propyloxolane
PubChem CID18954529
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Name2,3,3,4,4-pentafluoro-2-propyloxolane
SMILESCCCC1(F)OCC(F)(F)C1(F)F
InChIInChI=1S/C7H9F5O/c1-2-3-6(10)7(11,12)5(8,9)4-13-6/h2-4H2,1H3
InChIKeySPKWNDVTZJWUEO-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.75
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 2,3,3,4,4-pentafluoro-2-propyloxolane?
The IUPAC name of 2,3,3,4,4-pentafluoro-2-propyloxolane (CID 18954529) is 2,3,3,4,4-pentafluoro-2-propyloxolane.
What is the SMILES notation for 2,3,3,4,4-pentafluoro-2-propyloxolane?
The canonical SMILES for 2,3,3,4,4-pentafluoro-2-propyloxolane is CCCC1(F)OCC(F)(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4-pentafluoro-2-propyloxolane?
The InChIKey is SPKWNDVTZJWUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O/c1-2-3-6(10)7(11,12)5(8,9)4-13-6/h2-4H2,1H3.
What are the key properties of 2,3,3,4,4-pentafluoro-2-propyloxolane?
2,3,3,4,4-pentafluoro-2-propyloxolane has a molecular weight of 204.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentafluoro-2-propyloxolane is sourced from PubChem (CID 18954529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).