2-[2-(fluoromethoxy)ethoxy]acetaldehyde

C5H9FO3 — CID 91547096

IUPAC2-[2-(fluoromethoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOCF
InChIInChI=1S/C5H9FO3/c6-5-9-4-3-8-2-1-7/h1H,2-5H2
InChIKeyOLTSCAAEEMBIKN-UHFFFAOYSA-N
MW136.12 g/mol
LogP0.15
Rot. Bonds6

About 2-[2-(fluoromethoxy)ethoxy]acetaldehyde

2-[2-(fluoromethoxy)ethoxy]acetaldehyde (PubChem CID 91547096) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 2-[2-(fluoromethoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(fluoromethoxy)ethoxy]acetaldehyde
PubChem CID91547096
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name2-[2-(fluoromethoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOCF
InChIInChI=1S/C5H9FO3/c6-5-9-4-3-8-2-1-7/h1H,2-5H2
InChIKeyOLTSCAAEEMBIKN-UHFFFAOYSA-N
XLogP0.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-[2-(fluoromethoxy)ethoxy]acetaldehyde (CID 91547096) is 2-[2-(fluoromethoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(fluoromethoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(fluoromethoxy)ethoxy]acetaldehyde is O=CCOCCOCF.
What is the InChIKey of 2-[2-(fluoromethoxy)ethoxy]acetaldehyde?
The InChIKey is OLTSCAAEEMBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3/c6-5-9-4-3-8-2-1-7/h1H,2-5H2.
What are the key properties of 2-[2-(fluoromethoxy)ethoxy]acetaldehyde?
2-[2-(fluoromethoxy)ethoxy]acetaldehyde has a molecular weight of 136.12 g/mol, XLogP of 0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 91547096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).