2-(trifluoromethyl)-1,3-dioxolane

C4H5F3O2 — CID 3642049

IUPAC2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1OCCO1
InChIInChI=1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2
InChIKeySKIIHLUNHCIQAF-UHFFFAOYSA-N
MW142.08 g/mol
LogP0.92
Rot. Bonds

About 2-(trifluoromethyl)-1,3-dioxolane

2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 3642049) has the molecular formula C4H5F3O2 and a molecular weight of 142.08 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-dioxolane
PubChem CID3642049
Molecular FormulaC4H5F3O2
Molecular Weight142.08 g/mol
Exact Mass142.02
IUPAC Name2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1OCCO1
InChIInChI=1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2
InChIKeySKIIHLUNHCIQAF-UHFFFAOYSA-N
XLogP0.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(trifluoromethyl)-1,3-dioxolane (CID 3642049) is 2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1OCCO1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is SKIIHLUNHCIQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2.
What are the key properties of 2-(trifluoromethyl)-1,3-dioxolane?
2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 142.08 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 3642049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).