methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate

C7H11F2NO3 — CID 103514338

IUPACmethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-3-10(4-5(11)13-2)7(12)6(8)9/h6H,3-4H2,1-2H3
InChIKeyFHDABYAQLFZDGO-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.27
Rot. Bonds4

About methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate

methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate (PubChem CID 103514338) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
PubChem CID103514338
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(F)F
InChIInChI=1S/C7H11F2NO3/c1-3-10(4-5(11)13-2)7(12)6(8)9/h6H,3-4H2,1-2H3
InChIKeyFHDABYAQLFZDGO-UHFFFAOYSA-N
XLogP0.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate (CID 103514338) is methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)C(F)F.
What is the InChIKey of methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The InChIKey is FHDABYAQLFZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-3-10(4-5(11)13-2)7(12)6(8)9/h6H,3-4H2,1-2H3.
What are the key properties of methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate has a molecular weight of 195.16 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate is sourced from PubChem (CID 103514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).