2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine

C5H3F5O2 — CID 19010969

IUPAC2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine
SMILESCC1(F)OC(F)=C(F)OC1(F)F
InChIInChI=1S/C5H3F5O2/c1-4(8)5(9,10)12-3(7)2(6)11-4/h1H3
InChIKeyCLADDQQEHOUZEK-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.38
Rot. Bonds

About 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine

2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine (PubChem CID 19010969) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine
PubChem CID19010969
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine
SMILESCC1(F)OC(F)=C(F)OC1(F)F
InChIInChI=1S/C5H3F5O2/c1-4(8)5(9,10)12-3(7)2(6)11-4/h1H3
InChIKeyCLADDQQEHOUZEK-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine?
The IUPAC name of 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine (CID 19010969) is 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine.
What is the SMILES notation for 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine?
The canonical SMILES for 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine is CC1(F)OC(F)=C(F)OC1(F)F.
What is the InChIKey of 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine?
The InChIKey is CLADDQQEHOUZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c1-4(8)5(9,10)12-3(7)2(6)11-4/h1H3.
What are the key properties of 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine?
2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine has a molecular weight of 190.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,6-pentafluoro-3-methyl-1,4-dioxine is sourced from PubChem (CID 19010969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).