2-(fluoromethyl)-3-methyl-1,4-dioxane

C6H11FO2 — CID 59741578

IUPAC2-(fluoromethyl)-3-methyl-1,4-dioxane
SMILESCC1OCCOC1CF
InChIInChI=1S/C6H11FO2/c1-5-6(4-7)9-3-2-8-5/h5-6H,2-4H2,1H3
InChIKeySDMNFJASWSLBMW-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.76
Rot. Bonds1

About 2-(fluoromethyl)-3-methyl-1,4-dioxane

2-(fluoromethyl)-3-methyl-1,4-dioxane (PubChem CID 59741578) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-methyl-1,4-dioxane.

Molecular Properties

Compound Name2-(fluoromethyl)-3-methyl-1,4-dioxane
PubChem CID59741578
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name2-(fluoromethyl)-3-methyl-1,4-dioxane
SMILESCC1OCCOC1CF
InChIInChI=1S/C6H11FO2/c1-5-6(4-7)9-3-2-8-5/h5-6H,2-4H2,1H3
InChIKeySDMNFJASWSLBMW-UHFFFAOYSA-N
XLogP0.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-methyl-1,4-dioxane?
The IUPAC name of 2-(fluoromethyl)-3-methyl-1,4-dioxane (CID 59741578) is 2-(fluoromethyl)-3-methyl-1,4-dioxane.
What is the SMILES notation for 2-(fluoromethyl)-3-methyl-1,4-dioxane?
The canonical SMILES for 2-(fluoromethyl)-3-methyl-1,4-dioxane is CC1OCCOC1CF.
What is the InChIKey of 2-(fluoromethyl)-3-methyl-1,4-dioxane?
The InChIKey is SDMNFJASWSLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-5-6(4-7)9-3-2-8-5/h5-6H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-methyl-1,4-dioxane?
2-(fluoromethyl)-3-methyl-1,4-dioxane has a molecular weight of 134.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-methyl-1,4-dioxane is sourced from PubChem (CID 59741578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).