3-fluorodioxolane

C3H5FO2 — CID 19010972

IUPAC3-fluorodioxolane
SMILESFC1CCOO1
InChIInChI=1S/C3H5FO2/c4-3-1-2-5-6-3/h3H,1-2H2
InChIKeyPRCKQHZLQATZNL-UHFFFAOYSA-N
MW92.07 g/mol
LogP0.63
Rot. Bonds

About 3-fluorodioxolane

3-fluorodioxolane (PubChem CID 19010972) has the molecular formula C3H5FO2 and a molecular weight of 92.07 g/mol. Its IUPAC name is 3-fluorodioxolane.

Molecular Properties

Compound Name3-fluorodioxolane
PubChem CID19010972
Molecular FormulaC3H5FO2
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Name3-fluorodioxolane
SMILESFC1CCOO1
InChIInChI=1S/C3H5FO2/c4-3-1-2-5-6-3/h3H,1-2H2
InChIKeyPRCKQHZLQATZNL-UHFFFAOYSA-N
XLogP0.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluorodioxolane?
The IUPAC name of 3-fluorodioxolane (CID 19010972) is 3-fluorodioxolane.
What is the SMILES notation for 3-fluorodioxolane?
The canonical SMILES for 3-fluorodioxolane is FC1CCOO1.
What is the InChIKey of 3-fluorodioxolane?
The InChIKey is PRCKQHZLQATZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2/c4-3-1-2-5-6-3/h3H,1-2H2.
What are the key properties of 3-fluorodioxolane?
3-fluorodioxolane has a molecular weight of 92.07 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorodioxolane is sourced from PubChem (CID 19010972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).