ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate

C8H13F3N2O3 — CID 60969883

IUPACethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-16-6(14)5-13-7(15)12-4-3-8(9,10)11/h2-5H2,1H3,(H2,12,13,15)
InChIKeyYMOPYIBTWMZFRY-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.80
Rot. Bonds5

About ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate

ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate (PubChem CID 60969883) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
PubChem CID60969883
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Nameethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-16-6(14)5-13-7(15)12-4-3-8(9,10)11/h2-5H2,1H3,(H2,12,13,15)
InChIKeyYMOPYIBTWMZFRY-UHFFFAOYSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
1-(2,2,2-trifluoroethyl)-3-(3,3,3-trifluoropropyl)urea
CID 115662977
1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
CID 111474094
1-amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
2-ethyl-2-[(3,3,3-trifluoropropylcarbamoylamino)methyl]butanoic acid
CID 115431150
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
CID 60656231
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate (CID 60969883) is ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCCC(F)(F)F.
What is the InChIKey of ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate?
The InChIKey is YMOPYIBTWMZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-2-16-6(14)5-13-7(15)12-4-3-8(9,10)11/h2-5H2,1H3,(H2,12,13,15).
What are the key properties of ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate?
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate has a molecular weight of 242.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate is sourced from PubChem (CID 60969883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).