2-(fluoromethyl)-1,3-dioxane

C5H9FO2 — CID 171762014

IUPAC2-(fluoromethyl)-1,3-dioxane
SMILESFCC1OCCCO1
InChIInChI=1S/C5H9FO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2
InChIKeyHFGCZADHPDJWLK-UHFFFAOYSA-N
MW120.12 g/mol
LogP0.72
Rot. Bonds1

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

2-(fluoromethyl)-1,3-dioxane (PubChem CID 171762014) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-dioxane
PubChem CID171762014
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name2-(fluoromethyl)-1,3-dioxane
SMILESFCC1OCCCO1
InChIInChI=1S/C5H9FO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2
InChIKeyHFGCZADHPDJWLK-UHFFFAOYSA-N
XLogP0.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-dioxane?
The IUPAC name of 2-(fluoromethyl)-1,3-dioxane (CID 171762014) is 2-(fluoromethyl)-1,3-dioxane.
What is the SMILES notation for 2-(fluoromethyl)-1,3-dioxane?
The canonical SMILES for 2-(fluoromethyl)-1,3-dioxane is FCC1OCCCO1.
What is the InChIKey of 2-(fluoromethyl)-1,3-dioxane?
The InChIKey is HFGCZADHPDJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c6-4-5-7-2-1-3-8-5/h5H,1-4H2.
What are the key properties of 2-(fluoromethyl)-1,3-dioxane?
2-(fluoromethyl)-1,3-dioxane has a molecular weight of 120.12 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-dioxane is sourced from PubChem (CID 171762014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).