methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate

C9H15F2NO4 — CID 142304070

IUPACmethyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate
SMILESCCN(CCOC)C(=O)C(F)(F)C(=O)OC
InChIInChI=1S/C9H15F2NO4/c1-4-12(5-6-15-2)7(13)9(10,11)8(14)16-3/h4-6H2,1-3H3
InChIKeyGAYFMNUPRSWHCD-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.29
Rot. Bonds6

About methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate

methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate (PubChem CID 142304070) has the molecular formula C9H15F2NO4 and a molecular weight of 239.22 g/mol. Its IUPAC name is methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate
PubChem CID142304070
Molecular FormulaC9H15F2NO4
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Namemethyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate
SMILESCCN(CCOC)C(=O)C(F)(F)C(=O)OC
InChIInChI=1S/C9H15F2NO4/c1-4-12(5-6-15-2)7(13)9(10,11)8(14)16-3/h4-6H2,1-3H3
InChIKeyGAYFMNUPRSWHCD-UHFFFAOYSA-N
XLogP0.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate?
The IUPAC name of methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate (CID 142304070) is methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate.
What is the SMILES notation for methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate?
The canonical SMILES for methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate is CCN(CCOC)C(=O)C(F)(F)C(=O)OC.
What is the InChIKey of methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate?
The InChIKey is GAYFMNUPRSWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4/c1-4-12(5-6-15-2)7(13)9(10,11)8(14)16-3/h4-6H2,1-3H3.
What are the key properties of methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate?
methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate has a molecular weight of 239.22 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate is sourced from PubChem (CID 142304070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).