2-(4-fluorobutoxy)oxane

C9H17FO2 — CID 59512815

IUPAC2-(4-fluorobutoxy)oxane
SMILESFCCCCOC1CCCCO1
InChIInChI=1S/C9H17FO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
InChIKeyWADBEOBRJILCEP-UHFFFAOYSA-N
MW176.23 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-fluorobutoxy)oxane

2-(4-fluorobutoxy)oxane (PubChem CID 59512815) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-(4-fluorobutoxy)oxane.

Molecular Properties

Compound Name2-(4-fluorobutoxy)oxane
PubChem CID59512815
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name2-(4-fluorobutoxy)oxane
SMILESFCCCCOC1CCCCO1
InChIInChI=1S/C9H17FO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
InChIKeyWADBEOBRJILCEP-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 52.28
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 2-(4-fluorobutoxy)oxane?
The IUPAC name of 2-(4-fluorobutoxy)oxane (CID 59512815) is 2-(4-fluorobutoxy)oxane.
What is the SMILES notation for 2-(4-fluorobutoxy)oxane?
The canonical SMILES for 2-(4-fluorobutoxy)oxane is FCCCCOC1CCCCO1.
What is the InChIKey of 2-(4-fluorobutoxy)oxane?
The InChIKey is WADBEOBRJILCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2.
What are the key properties of 2-(4-fluorobutoxy)oxane?
2-(4-fluorobutoxy)oxane has a molecular weight of 176.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutoxy)oxane is sourced from PubChem (CID 59512815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).