1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane

C13H24F4O4 — CID 88575981

IUPAC1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane
SMILESCCOCC(COCC)(COCC(F)F)COCC(F)F
InChIInChI=1S/C13H24F4O4/c1-3-18-7-13(8-19-4-2,9-20-5-11(14)15)10-21-6-12(16)17/h11-12H,3-10H2,1-2H3
InChIKeyXYZZTBFNOHUBKG-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.61
Rot. Bonds14

About 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane

1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane (PubChem CID 88575981) has the molecular formula C13H24F4O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane
PubChem CID88575981
Molecular FormulaC13H24F4O4
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane
SMILESCCOCC(COCC)(COCC(F)F)COCC(F)F
InChIInChI=1S/C13H24F4O4/c1-3-18-7-13(8-19-4-2,9-20-5-11(14)15)10-21-6-12(16)17/h11-12H,3-10H2,1-2H3
InChIKeyXYZZTBFNOHUBKG-UHFFFAOYSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane (CID 88575981) is 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane is CCOCC(COCC)(COCC(F)F)COCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane?
The InChIKey is XYZZTBFNOHUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F4O4/c1-3-18-7-13(8-19-4-2,9-20-5-11(14)15)10-21-6-12(16)17/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane?
1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane has a molecular weight of 320.32 g/mol, XLogP of 2.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-(2,2-difluoroethoxymethyl)-3-ethoxy-2-(ethoxymethyl)propane is sourced from PubChem (CID 88575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).