1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane

C11H22F2O4 — CID 58003278

IUPAC1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane
SMILESCCOCC(COCC)(COCF)COCF
InChIInChI=1S/C11H22F2O4/c1-3-14-5-11(6-15-4-2,7-16-9-12)8-17-10-13/h3-10H2,1-2H3
InChIKeyMWZZFYHBLQTOHL-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.93
Rot. Bonds12

About 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane

1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane (PubChem CID 58003278) has the molecular formula C11H22F2O4 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane.

Molecular Properties

Compound Name1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane
PubChem CID58003278
Molecular FormulaC11H22F2O4
Molecular Weight256.29 g/mol
Exact Mass256.15
IUPAC Name1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane
SMILESCCOCC(COCC)(COCF)COCF
InChIInChI=1S/C11H22F2O4/c1-3-14-5-11(6-15-4-2,7-16-9-12)8-17-10-13/h3-10H2,1-2H3
InChIKeyMWZZFYHBLQTOHL-UHFFFAOYSA-N
XLogP1.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane?
The IUPAC name of 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane (CID 58003278) is 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane.
What is the SMILES notation for 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane?
The canonical SMILES for 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane is CCOCC(COCC)(COCF)COCF.
What is the InChIKey of 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane?
The InChIKey is MWZZFYHBLQTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O4/c1-3-14-5-11(6-15-4-2,7-16-9-12)8-17-10-13/h3-10H2,1-2H3.
What are the key properties of 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane?
1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane has a molecular weight of 256.29 g/mol, XLogP of 1.93, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(ethoxymethyl)-3-(fluoromethoxy)-2-(fluoromethoxymethyl)propane is sourced from PubChem (CID 58003278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).