1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane

C10H20F2O3 — CID 20783120

IUPAC1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
SMILESCCC(COCCF)(COCCF)OC
InChIInChI=1S/C10H20F2O3/c1-3-10(13-2,8-14-6-4-11)9-15-7-5-12/h3-9H2,1-2H3
InChIKeyRYBWQYYSAQQLKB-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.75
Rot. Bonds10

About 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane

1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane (PubChem CID 20783120) has the molecular formula C10H20F2O3 and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
PubChem CID20783120
Molecular FormulaC10H20F2O3
Molecular Weight226.26 g/mol
Exact Mass226.14
IUPAC Name1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane
SMILESCCC(COCCF)(COCCF)OC
InChIInChI=1S/C10H20F2O3/c1-3-10(13-2,8-14-6-4-11)9-15-7-5-12/h3-9H2,1-2H3
InChIKeyRYBWQYYSAQQLKB-UHFFFAOYSA-N
XLogP1.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane?
The IUPAC name of 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane (CID 20783120) is 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane.
What is the SMILES notation for 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane?
The canonical SMILES for 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane is CCC(COCCF)(COCCF)OC.
What is the InChIKey of 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane?
The InChIKey is RYBWQYYSAQQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O3/c1-3-10(13-2,8-14-6-4-11)9-15-7-5-12/h3-9H2,1-2H3.
What are the key properties of 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane?
1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane has a molecular weight of 226.26 g/mol, XLogP of 1.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-2-(2-fluoroethoxymethyl)-2-methoxybutane is sourced from PubChem (CID 20783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).