ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate

C9H15F2NO4 — CID 103515014

IUPACethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO4/c1-3-16-7(13)6-12(4-5-15-2)9(14)8(10)11/h8H,3-6H2,1-2H3
InChIKeyNHFXSZIJKLEDEB-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.29
Rot. Bonds7

About ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate (PubChem CID 103515014) has the molecular formula C9H15F2NO4 and a molecular weight of 239.22 g/mol. Its IUPAC name is ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
PubChem CID103515014
Molecular FormulaC9H15F2NO4
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO4/c1-3-16-7(13)6-12(4-5-15-2)9(14)8(10)11/h8H,3-6H2,1-2H3
InChIKeyNHFXSZIJKLEDEB-UHFFFAOYSA-N
XLogP0.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

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ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
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(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
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2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate (CID 103515014) is ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C(F)F.
What is the InChIKey of ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is NHFXSZIJKLEDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4/c1-3-16-7(13)6-12(4-5-15-2)9(14)8(10)11/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 239.22 g/mol, XLogP of 0.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 103515014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).