2-(fluoromethyl)-1,3-dioxolane

C4H7FO2 — CID 18927539

IUPAC2-(fluoromethyl)-1,3-dioxolane
SMILESFCC1OCCO1
InChIInChI=1S/C4H7FO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKeyAWBJMTUHHGVBKS-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.33
Rot. Bonds1

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

2-(fluoromethyl)-1,3-dioxolane (PubChem CID 18927539) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-dioxolane
PubChem CID18927539
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name2-(fluoromethyl)-1,3-dioxolane
SMILESFCC1OCCO1
InChIInChI=1S/C4H7FO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKeyAWBJMTUHHGVBKS-UHFFFAOYSA-N
XLogP0.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.33
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-dioxolane?
The IUPAC name of 2-(fluoromethyl)-1,3-dioxolane (CID 18927539) is 2-(fluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(fluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(fluoromethyl)-1,3-dioxolane is FCC1OCCO1.
What is the InChIKey of 2-(fluoromethyl)-1,3-dioxolane?
The InChIKey is AWBJMTUHHGVBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c5-3-4-6-1-2-7-4/h4H,1-3H2.
What are the key properties of 2-(fluoromethyl)-1,3-dioxolane?
2-(fluoromethyl)-1,3-dioxolane has a molecular weight of 106.10 g/mol, XLogP of 0.33, 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-dioxolane is sourced from PubChem (CID 18927539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).