2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane

C7H13FO2 — CID 59741549

IUPAC2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane
SMILESCC1COC(CF)C(C)O1
InChIInChI=1S/C7H13FO2/c1-5-4-9-7(3-8)6(2)10-5/h5-7H,3-4H2,1-2H3
InChIKeyACGKMGAOSQQTLK-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.15
Rot. Bonds1

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

2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane (PubChem CID 59741549) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane
PubChem CID59741549
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane
SMILESCC1COC(CF)C(C)O1
InChIInChI=1S/C7H13FO2/c1-5-4-9-7(3-8)6(2)10-5/h5-7H,3-4H2,1-2H3
InChIKeyACGKMGAOSQQTLK-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane?
The IUPAC name of 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane (CID 59741549) is 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane.
What is the SMILES notation for 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane?
The canonical SMILES for 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane is CC1COC(CF)C(C)O1.
What is the InChIKey of 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane?
The InChIKey is ACGKMGAOSQQTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5-4-9-7(3-8)6(2)10-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane?
2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane has a molecular weight of 148.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3,5-dimethyl-1,4-dioxane is sourced from PubChem (CID 59741549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).