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

C8H15FO2 — CID 171762055

IUPAC5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane
SMILESCC1OC(C)C(CF)C(C)O1
InChIInChI=1S/C8H15FO2/c1-5-8(4-9)6(2)11-7(3)10-5/h5-8H,4H2,1-3H3
InChIKeyRKFRFUJRACQPEF-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.74
Rot. Bonds1

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

5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane (PubChem CID 171762055) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane
PubChem CID171762055
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane
SMILESCC1OC(C)C(CF)C(C)O1
InChIInChI=1S/C8H15FO2/c1-5-8(4-9)6(2)11-7(3)10-5/h5-8H,4H2,1-3H3
InChIKeyRKFRFUJRACQPEF-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 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane?
The IUPAC name of 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane (CID 171762055) is 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane.
What is the SMILES notation for 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane?
The canonical SMILES for 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane is CC1OC(C)C(CF)C(C)O1.
What is the InChIKey of 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane?
The InChIKey is RKFRFUJRACQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-5-8(4-9)6(2)11-7(3)10-5/h5-8H,4H2,1-3H3.
What are the key properties of 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane?
5-(fluoromethyl)-2,4,6-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 5-(fluoromethyl)-2,4,6-trimethyl-1,3-dioxane is sourced from PubChem (CID 171762055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).