4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane

C8H15FO2 — CID 171762032

IUPAC4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane
SMILESCC1OC(C)C(C)C(CF)O1
InChIInChI=1S/C8H15FO2/c1-5-6(2)10-7(3)11-8(5)4-9/h5-8H,4H2,1-3H3
InChIKeyNCNZLRWCUXRFFH-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.74
Rot. Bonds1

About 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane

4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane (PubChem CID 171762032) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane
PubChem CID171762032
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane
SMILESCC1OC(C)C(C)C(CF)O1
InChIInChI=1S/C8H15FO2/c1-5-6(2)10-7(3)11-8(5)4-9/h5-8H,4H2,1-3H3
InChIKeyNCNZLRWCUXRFFH-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane?
The IUPAC name of 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane (CID 171762032) is 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane.
What is the SMILES notation for 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane?
The canonical SMILES for 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane is CC1OC(C)C(C)C(CF)O1.
What is the InChIKey of 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane?
The InChIKey is NCNZLRWCUXRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-5-6(2)10-7(3)11-8(5)4-9/h5-8H,4H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane?
4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane has a molecular weight of 162.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,5,6-trimethyl-1,3-dioxane is sourced from PubChem (CID 171762032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).