ethyl 2-(2,2-difluoroethylamino)acetate

C6H11F2NO2 — CID 60921893

IUPACethyl 2-(2,2-difluoroethylamino)acetate
SMILESCCOC(=O)CNCC(F)F
InChIInChI=1S/C6H11F2NO2/c1-2-11-6(10)4-9-3-5(7)8/h5,9H,2-4H2,1H3
InChIKeyFNMASLYFNBRRBJ-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.40
Rot. Bonds5

About ethyl 2-(2,2-difluoroethylamino)acetate

ethyl 2-(2,2-difluoroethylamino)acetate (PubChem CID 60921893) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethylamino)acetate
PubChem CID60921893
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Nameethyl 2-(2,2-difluoroethylamino)acetate
SMILESCCOC(=O)CNCC(F)F
InChIInChI=1S/C6H11F2NO2/c1-2-11-6(10)4-9-3-5(7)8/h5,9H,2-4H2,1H3
InChIKeyFNMASLYFNBRRBJ-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Ethyl 2-(propylamino)acetate
CID 13454968
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Methyl N-ethylglycinate
CID 12591596
Acetic acid, (2-fluoroacetamido)-, ethyl ester
CID 9749
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
Methyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596013
Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
Tert-butyl 2-[(2,2-difluoroethyl)amino]acetate
CID 89906572
N-methylmorpholinium trifluoroacetate
CID 67341476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethylamino)acetate?
The IUPAC name of ethyl 2-(2,2-difluoroethylamino)acetate (CID 60921893) is ethyl 2-(2,2-difluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(2,2-difluoroethylamino)acetate is CCOC(=O)CNCC(F)F.
What is the InChIKey of ethyl 2-(2,2-difluoroethylamino)acetate?
The InChIKey is FNMASLYFNBRRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-2-11-6(10)4-9-3-5(7)8/h5,9H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,2-difluoroethylamino)acetate?
ethyl 2-(2,2-difluoroethylamino)acetate has a molecular weight of 167.15 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethylamino)acetate is sourced from PubChem (CID 60921893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).