2,2,4-trifluorooxolane

C4H5F3O — CID 20715452

IUPAC2,2,4-trifluorooxolane
SMILESFC1COC(F)(F)C1
InChIInChI=1S/C4H5F3O/c5-3-1-4(6,7)8-2-3/h3H,1-2H2
InChIKeyUBUNOEKRVGLCNK-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.34
Rot. Bonds

About 2,2,4-trifluorooxolane

2,2,4-trifluorooxolane (PubChem CID 20715452) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2,2,4-trifluorooxolane.

Molecular Properties

Compound Name2,2,4-trifluorooxolane
PubChem CID20715452
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2,2,4-trifluorooxolane
SMILESFC1COC(F)(F)C1
InChIInChI=1S/C4H5F3O/c5-3-1-4(6,7)8-2-3/h3H,1-2H2
InChIKeyUBUNOEKRVGLCNK-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluorooxolane?
The IUPAC name of 2,2,4-trifluorooxolane (CID 20715452) is 2,2,4-trifluorooxolane.
What is the SMILES notation for 2,2,4-trifluorooxolane?
The canonical SMILES for 2,2,4-trifluorooxolane is FC1COC(F)(F)C1.
What is the InChIKey of 2,2,4-trifluorooxolane?
The InChIKey is UBUNOEKRVGLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c5-3-1-4(6,7)8-2-3/h3H,1-2H2.
What are the key properties of 2,2,4-trifluorooxolane?
2,2,4-trifluorooxolane has a molecular weight of 126.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluorooxolane is sourced from PubChem (CID 20715452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).