2,3,6-trifluoro-3-methyl-2H-1,4-dioxine

C5H5F3O2 — CID 142648407

IUPAC2,3,6-trifluoro-3-methyl-2H-1,4-dioxine
SMILESCC1(F)OC=C(F)OC1F
InChIInChI=1S/C5H5F3O2/c1-5(8)4(7)10-3(6)2-9-5/h2,4H,1H3
InChIKeyWNLGTLXLHCDTOI-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.78
Rot. Bonds

About 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine

2,3,6-trifluoro-3-methyl-2H-1,4-dioxine (PubChem CID 142648407) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine.

Molecular Properties

Compound Name2,3,6-trifluoro-3-methyl-2H-1,4-dioxine
PubChem CID142648407
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2,3,6-trifluoro-3-methyl-2H-1,4-dioxine
SMILESCC1(F)OC=C(F)OC1F
InChIInChI=1S/C5H5F3O2/c1-5(8)4(7)10-3(6)2-9-5/h2,4H,1H3
InChIKeyWNLGTLXLHCDTOI-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine?
The IUPAC name of 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine (CID 142648407) is 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine.
What is the SMILES notation for 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine?
The canonical SMILES for 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine is CC1(F)OC=C(F)OC1F.
What is the InChIKey of 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine?
The InChIKey is WNLGTLXLHCDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c1-5(8)4(7)10-3(6)2-9-5/h2,4H,1H3.
What are the key properties of 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine?
2,3,6-trifluoro-3-methyl-2H-1,4-dioxine has a molecular weight of 154.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-3-methyl-2H-1,4-dioxine is sourced from PubChem (CID 142648407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).