3-(2-fluorooctoxy)oxetane

C11H21FO2 — CID 70632148

IUPAC3-(2-fluorooctoxy)oxetane
SMILESCCCCCCC(F)COC1COC1
InChIInChI=1S/C11H21FO2/c1-2-3-4-5-6-10(12)7-14-11-8-13-9-11/h10-11H,2-9H2,1H3
InChIKeyARSVJPXLIKKARX-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.71
Rot. Bonds8

About 3-(2-fluorooctoxy)oxetane

3-(2-fluorooctoxy)oxetane (PubChem CID 70632148) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(2-fluorooctoxy)oxetane.

Molecular Properties

Compound Name3-(2-fluorooctoxy)oxetane
PubChem CID70632148
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name3-(2-fluorooctoxy)oxetane
SMILESCCCCCCC(F)COC1COC1
InChIInChI=1S/C11H21FO2/c1-2-3-4-5-6-10(12)7-14-11-8-13-9-11/h10-11H,2-9H2,1H3
InChIKeyARSVJPXLIKKARX-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.71
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-(2-fluorooctoxy)oxetane?
The IUPAC name of 3-(2-fluorooctoxy)oxetane (CID 70632148) is 3-(2-fluorooctoxy)oxetane.
What is the SMILES notation for 3-(2-fluorooctoxy)oxetane?
The canonical SMILES for 3-(2-fluorooctoxy)oxetane is CCCCCCC(F)COC1COC1.
What is the InChIKey of 3-(2-fluorooctoxy)oxetane?
The InChIKey is ARSVJPXLIKKARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2/c1-2-3-4-5-6-10(12)7-14-11-8-13-9-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-(2-fluorooctoxy)oxetane?
3-(2-fluorooctoxy)oxetane has a molecular weight of 204.28 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorooctoxy)oxetane is sourced from PubChem (CID 70632148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).