fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate

C12H22FNO6 — CID 169191974

IUPACfluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate
SMILESCOCCN(CCOC)CC(=O)OC(C)(C)C(=O)OF
InChIInChI=1S/C12H22FNO6/c1-12(2,11(16)20-13)19-10(15)9-14(5-7-17-3)6-8-18-4/h5-9H2,1-4H3
InChIKeyLJEQGIBQJBXEOR-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.33
Rot. Bonds10

About fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate

fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate (PubChem CID 169191974) has the molecular formula C12H22FNO6 and a molecular weight of 295.31 g/mol. Its IUPAC name is fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Namefluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate
PubChem CID169191974
Molecular FormulaC12H22FNO6
Molecular Weight295.31 g/mol
Exact Mass295.14
IUPAC Namefluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate
SMILESCOCCN(CCOC)CC(=O)OC(C)(C)C(=O)OF
InChIInChI=1S/C12H22FNO6/c1-12(2,11(16)20-13)19-10(15)9-14(5-7-17-3)6-8-18-4/h5-9H2,1-4H3
InChIKeyLJEQGIBQJBXEOR-UHFFFAOYSA-N
XLogP0.33
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate?
The IUPAC name of fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate (CID 169191974) is fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate.
What is the SMILES notation for fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate?
The canonical SMILES for fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate is COCCN(CCOC)CC(=O)OC(C)(C)C(=O)OF.
What is the InChIKey of fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate?
The InChIKey is LJEQGIBQJBXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO6/c1-12(2,11(16)20-13)19-10(15)9-14(5-7-17-3)6-8-18-4/h5-9H2,1-4H3.
What are the key properties of fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate?
fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate has a molecular weight of 295.31 g/mol, XLogP of 0.33, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[2-[bis(2-methoxyethyl)amino]acetyl]oxy-2-methylpropanoate is sourced from PubChem (CID 169191974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).