2-(fluoromethyl)-2,3-dihydro-1,4-dioxine

C5H7FO2 — CID 22917889

IUPAC2-(fluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFCC1COC=CO1
InChIInChI=1S/C5H7FO2/c6-3-5-4-7-1-2-8-5/h1-2,5H,3-4H2
InChIKeyQSNGMFBIYQAKJT-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.84
Rot. Bonds1

About 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine

2-(fluoromethyl)-2,3-dihydro-1,4-dioxine (PubChem CID 22917889) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name2-(fluoromethyl)-2,3-dihydro-1,4-dioxine
PubChem CID22917889
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name2-(fluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESFCC1COC=CO1
InChIInChI=1S/C5H7FO2/c6-3-5-4-7-1-2-8-5/h1-2,5H,3-4H2
InChIKeyQSNGMFBIYQAKJT-UHFFFAOYSA-N
XLogP0.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine (CID 22917889) is 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine is FCC1COC=CO1.
What is the InChIKey of 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is QSNGMFBIYQAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-3-5-4-7-1-2-8-5/h1-2,5H,3-4H2.
What are the key properties of 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine?
2-(fluoromethyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 118.11 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 22917889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).