1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane

C6H12F2O3 — CID 91374954

IUPAC1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane
SMILESFCCOCOCOCCF
InChIInChI=1S/C6H12F2O3/c7-1-3-9-5-11-6-10-4-2-8/h1-6H2
InChIKeyMOBQGXLLAOVPIQ-UHFFFAOYSA-N
MW170.15 g/mol
LogP0.89
Rot. Bonds8

About 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane

1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane (PubChem CID 91374954) has the molecular formula C6H12F2O3 and a molecular weight of 170.15 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane
PubChem CID91374954
Molecular FormulaC6H12F2O3
Molecular Weight170.15 g/mol
Exact Mass170.08
IUPAC Name1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane
SMILESFCCOCOCOCCF
InChIInChI=1S/C6H12F2O3/c7-1-3-9-5-11-6-10-4-2-8/h1-6H2
InChIKeyMOBQGXLLAOVPIQ-UHFFFAOYSA-N
XLogP0.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane?
The IUPAC name of 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane (CID 91374954) is 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane.
What is the SMILES notation for 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane?
The canonical SMILES for 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane is FCCOCOCOCCF.
What is the InChIKey of 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane?
The InChIKey is MOBQGXLLAOVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O3/c7-1-3-9-5-11-6-10-4-2-8/h1-6H2.
What are the key properties of 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane?
1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane has a molecular weight of 170.15 g/mol, XLogP of 0.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane is sourced from PubChem (CID 91374954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).