3-(3-butoxypropyl)-3-fluorooxetane

C10H19FO2 — CID 131968339

IUPAC3-(3-butoxypropyl)-3-fluorooxetane
SMILESCCCCOCCCC1(F)COC1
InChIInChI=1S/C10H19FO2/c1-2-3-6-12-7-4-5-10(11)8-13-9-10/h2-9H2,1H3
InChIKeyAQLSICOCSKUILG-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.32
Rot. Bonds7

About 3-(3-butoxypropyl)-3-fluorooxetane

3-(3-butoxypropyl)-3-fluorooxetane (PubChem CID 131968339) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(3-butoxypropyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(3-butoxypropyl)-3-fluorooxetane
PubChem CID131968339
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name3-(3-butoxypropyl)-3-fluorooxetane
SMILESCCCCOCCCC1(F)COC1
InChIInChI=1S/C10H19FO2/c1-2-3-6-12-7-4-5-10(11)8-13-9-10/h2-9H2,1H3
InChIKeyAQLSICOCSKUILG-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropyl)-3-fluorooxetane?
The IUPAC name of 3-(3-butoxypropyl)-3-fluorooxetane (CID 131968339) is 3-(3-butoxypropyl)-3-fluorooxetane.
What is the SMILES notation for 3-(3-butoxypropyl)-3-fluorooxetane?
The canonical SMILES for 3-(3-butoxypropyl)-3-fluorooxetane is CCCCOCCCC1(F)COC1.
What is the InChIKey of 3-(3-butoxypropyl)-3-fluorooxetane?
The InChIKey is AQLSICOCSKUILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-2-3-6-12-7-4-5-10(11)8-13-9-10/h2-9H2,1H3.
What are the key properties of 3-(3-butoxypropyl)-3-fluorooxetane?
3-(3-butoxypropyl)-3-fluorooxetane has a molecular weight of 190.26 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropyl)-3-fluorooxetane is sourced from PubChem (CID 131968339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).