2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine

C5H5F3O2 — CID 154100833

IUPAC2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFC(F)(F)C1COC=CO1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4-3-9-1-2-10-4/h1-2,4H,3H2
InChIKeyVQIZEEZJXBWLPO-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.44
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine

2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine (PubChem CID 154100833) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
PubChem CID154100833
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFC(F)(F)C1COC=CO1
InChIInChI=1S/C5H5F3O2/c6-5(7,8)4-3-9-1-2-10-4/h1-2,4H,3H2
InChIKeyVQIZEEZJXBWLPO-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine (CID 154100833) is 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine is FC(F)(F)C1COC=CO1.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is VQIZEEZJXBWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)4-3-9-1-2-10-4/h1-2,4H,3H2.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 154.09 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 154100833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).