1-[2-(2-fluoroethoxy)ethoxy]butane

C8H17FO2 — CID 11630

IUPAC1-[2-(2-fluoroethoxy)ethoxy]butane
SMILESCCCCOCCOCCF
InChIInChI=1S/C8H17FO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3
InChIKeyPITAMMZNZDCPRU-UHFFFAOYSA-N
MW164.22 g/mol
LogP1.79
Rot. Bonds8

About 1-[2-(2-fluoroethoxy)ethoxy]butane

1-[2-(2-fluoroethoxy)ethoxy]butane (PubChem CID 11630) has the molecular formula C8H17FO2 and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)ethoxy]butane
PubChem CID11630
Molecular FormulaC8H17FO2
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name1-[2-(2-fluoroethoxy)ethoxy]butane
SMILESCCCCOCCOCCF
InChIInChI=1S/C8H17FO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3
InChIKeyPITAMMZNZDCPRU-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 51.79
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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Related Compounds

Diethylene glycol dibutyl ether
CID 8210
Ethylene glycol dibutyl ether
CID 8188
5,8,11,14-Tetraoxaoctadecane
CID 2733908
1-Butoxy-2-ethoxyethane
CID 20451
Butyl 2-methoxyethyl ether
CID 83358
Ethanol, 2-(2-butoxyethoxy)-, sodium salt (1:1)
CID 23677067
1,2-Dipropoxyethane
CID 140437
1-[2-(2-Propoxyethoxy)ethoxy]propane
CID 14178861
1-(2-Propoxyethoxy)butane
CID 18943042
1-Butoxy-2-fluorobutane
CID 15062446
1-[2-(2-Methoxyethoxy)ethoxy]butane
CID 81861
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]butane
CID 21319773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]butane?
The IUPAC name of 1-[2-(2-fluoroethoxy)ethoxy]butane (CID 11630) is 1-[2-(2-fluoroethoxy)ethoxy]butane.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)ethoxy]butane?
The canonical SMILES for 1-[2-(2-fluoroethoxy)ethoxy]butane is CCCCOCCOCCF.
What is the InChIKey of 1-[2-(2-fluoroethoxy)ethoxy]butane?
The InChIKey is PITAMMZNZDCPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3.
What are the key properties of 1-[2-(2-fluoroethoxy)ethoxy]butane?
1-[2-(2-fluoroethoxy)ethoxy]butane has a molecular weight of 164.22 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)ethoxy]butane is sourced from PubChem (CID 11630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).