1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine

C11H24FNO3 — CID 134323585

IUPAC1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine
SMILESCCOCC(F)OCCC(C)OCC(C)N
InChIInChI=1S/C11H24FNO3/c1-4-14-8-11(12)15-6-5-10(3)16-7-9(2)13/h9-11H,4-8,13H2,1-3H3
InChIKeyZNOQLYRIAZKPHX-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.48
Rot. Bonds10

About 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine

1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine (PubChem CID 134323585) has the molecular formula C11H24FNO3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine
PubChem CID134323585
Molecular FormulaC11H24FNO3
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine
SMILESCCOCC(F)OCCC(C)OCC(C)N
InChIInChI=1S/C11H24FNO3/c1-4-14-8-11(12)15-6-5-10(3)16-7-9(2)13/h9-11H,4-8,13H2,1-3H3
InChIKeyZNOQLYRIAZKPHX-UHFFFAOYSA-N
XLogP1.48
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine?
The IUPAC name of 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine (CID 134323585) is 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine.
What is the SMILES notation for 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine?
The canonical SMILES for 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine is CCOCC(F)OCCC(C)OCC(C)N.
What is the InChIKey of 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine?
The InChIKey is ZNOQLYRIAZKPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO3/c1-4-14-8-11(12)15-6-5-10(3)16-7-9(2)13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine?
1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxy-1-fluoroethoxy)butan-2-yloxy]propan-2-amine is sourced from PubChem (CID 134323585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).