methyl 2-(2,2-difluoroethylamino)acetate

C5H9F2NO2 — CID 60921367

IUPACmethyl 2-(2,2-difluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-10-5(9)3-8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyPJCUBQGBOMXOKY-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.01
Rot. Bonds4

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

methyl 2-(2,2-difluoroethylamino)acetate (PubChem CID 60921367) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is methyl 2-(2,2-difluoroethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-difluoroethylamino)acetate
PubChem CID60921367
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Namemethyl 2-(2,2-difluoroethylamino)acetate
SMILESCOC(=O)CNCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-10-5(9)3-8-2-4(6)7/h4,8H,2-3H2,1H3
InChIKeyPJCUBQGBOMXOKY-UHFFFAOYSA-N
XLogP0.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N-(trifluoroacetyl)-, methyl ester
CID 136228
Sarcosine methyl ester
CID 83545
Ethyl 2-(ethylamino)acetate
CID 12591597
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
CID 428827
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Methyl N-ethylglycinate
CID 12591596
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
Methyl 2-(ethylamino)acetate hydrochloride
CID 50988235
Tert-butyl 2-[(2,2-difluoroethyl)amino]acetate
CID 89906572

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-difluoroethylamino)acetate?
The IUPAC name of methyl 2-(2,2-difluoroethylamino)acetate (CID 60921367) is methyl 2-(2,2-difluoroethylamino)acetate.
What is the SMILES notation for methyl 2-(2,2-difluoroethylamino)acetate?
The canonical SMILES for methyl 2-(2,2-difluoroethylamino)acetate is COC(=O)CNCC(F)F.
What is the InChIKey of methyl 2-(2,2-difluoroethylamino)acetate?
The InChIKey is PJCUBQGBOMXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-10-5(9)3-8-2-4(6)7/h4,8H,2-3H2,1H3.
What are the key properties of methyl 2-(2,2-difluoroethylamino)acetate?
methyl 2-(2,2-difluoroethylamino)acetate has a molecular weight of 153.13 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-difluoroethylamino)acetate is sourced from PubChem (CID 60921367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).