fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C19H37FN2O9 — CID 167261994

IUPACfluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF
InChIInChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23)
InChIKeyXLQPFSHGWOMGCD-UHFFFAOYSA-N
MW456.51 g/mol
LogP-0.42
Rot. Bonds23

About fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 167261994) has the molecular formula C19H37FN2O9 and a molecular weight of 456.51 g/mol. Its IUPAC name is fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namefluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID167261994
Molecular FormulaC19H37FN2O9
Molecular Weight456.51 g/mol
Exact Mass456.25
IUPAC Namefluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF
InChIInChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23)
InChIKeyXLQPFSHGWOMGCD-UHFFFAOYSA-N
XLogP-0.42
TPSA114.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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 fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 167261994) is fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CN(C)CC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)OF.
What is the InChIKey of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is XLQPFSHGWOMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2O9/c1-22(2)17-18(23)21-4-6-26-8-10-28-12-14-30-16-15-29-13-11-27-9-7-25-5-3-19(24)31-20/h3-17H2,1-2H3,(H,21,23).
What are the key properties of fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 456.51 g/mol, XLogP of -0.42, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[2-[2-[2-[2-[2-[2-[[2-(dimethylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 167261994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).