2-(2-fluoroethoxy)ethanol

C4H9FO2 — CID 9763

IUPAC2-(2-fluoroethoxy)ethanol
SMILESOCCOCCF
InChIInChI=1S/C4H9FO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKeyAIQHGORLUMRDSE-UHFFFAOYSA-N
MW108.11 g/mol
LogP-0.04
Rot. Bonds4

About 2-(2-fluoroethoxy)ethanol

2-(2-fluoroethoxy)ethanol (PubChem CID 9763) has the molecular formula C4H9FO2 and a molecular weight of 108.11 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)ethanol.

Molecular Properties

Compound Name2-(2-fluoroethoxy)ethanol
PubChem CID9763
Molecular FormulaC4H9FO2
Molecular Weight108.11 g/mol
Exact Mass108.06
IUPAC Name2-(2-fluoroethoxy)ethanol
SMILESOCCOCCF
InChIInChI=1S/C4H9FO2/c5-1-3-7-4-2-6/h6H,1-4H2
InChIKeyAIQHGORLUMRDSE-UHFFFAOYSA-N
XLogP-0.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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-(2-fluoroethoxy)ethanol?
The IUPAC name of 2-(2-fluoroethoxy)ethanol (CID 9763) is 2-(2-fluoroethoxy)ethanol.
What is the SMILES notation for 2-(2-fluoroethoxy)ethanol?
The canonical SMILES for 2-(2-fluoroethoxy)ethanol is OCCOCCF.
What is the InChIKey of 2-(2-fluoroethoxy)ethanol?
The InChIKey is AIQHGORLUMRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2/c5-1-3-7-4-2-6/h6H,1-4H2.
What are the key properties of 2-(2-fluoroethoxy)ethanol?
2-(2-fluoroethoxy)ethanol has a molecular weight of 108.11 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)ethanol is sourced from PubChem (CID 9763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).