2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane

C7H8F6O2 — CID 13271507

IUPAC2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane
SMILESFC(C(F)(F)F)C(F)(F)C1COCCO1
InChIInChI=1S/C7H8F6O2/c8-5(7(11,12)13)6(9,10)4-3-14-1-2-15-4/h4-5H,1-3H2
InChIKeyNNTBXTUVWBLBKN-UHFFFAOYSA-N
MW238.13 g/mol
LogP1.94
Rot. Bonds2

About 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane

2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane (PubChem CID 13271507) has the molecular formula C7H8F6O2 and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane
PubChem CID13271507
Molecular FormulaC7H8F6O2
Molecular Weight238.13 g/mol
Exact Mass238.04
IUPAC Name2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane
SMILESFC(C(F)(F)F)C(F)(F)C1COCCO1
InChIInChI=1S/C7H8F6O2/c8-5(7(11,12)13)6(9,10)4-3-14-1-2-15-4/h4-5H,1-3H2
InChIKeyNNTBXTUVWBLBKN-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane?
The IUPAC name of 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane (CID 13271507) is 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane.
What is the SMILES notation for 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane?
The canonical SMILES for 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane is FC(C(F)(F)F)C(F)(F)C1COCCO1.
What is the InChIKey of 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane?
The InChIKey is NNTBXTUVWBLBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O2/c8-5(7(11,12)13)6(9,10)4-3-14-1-2-15-4/h4-5H,1-3H2.
What are the key properties of 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane?
2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane has a molecular weight of 238.13 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,3,3,3-hexafluoropropyl)-1,4-dioxane is sourced from PubChem (CID 13271507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).