methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate

C7H12F3NO2 — CID 60892739

IUPACmethyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)4-3-6(12)13-2/h3-5H2,1-2H3
InChIKeyHILCFSLCTGBDBJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.04
Rot. Bonds4

About methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60892739) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60892739
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namemethyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)4-3-6(12)13-2/h3-5H2,1-2H3
InChIKeyHILCFSLCTGBDBJ-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, N,N-dimethyl-, methyl ester
CID 199226
1-Aziridinepropionic acid, 2,2,2-trifluoroethyl ester
CID 32213
Ethyl 3-[2-fluoropropyl(methyl)amino]propanoate
CID 44521775
Methyl 3-(diethylamino)-2,3,3-trifluoropropanoate
CID 134893756
Methyl 3-(2,2,2-Trifluoro-N-methylacetamido)propanoate
CID 61587355
Methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate
CID 39869138
Methyl 3-[bis(trifluoromethyl)amino]propanoate
CID 57920855
2,2,2-Trifluoroethyl 3-(dibutylamino)propanoate
CID 59203953
2,2,2-Trifluoroethyl 3-(dipropylamino)propanoate
CID 59204021
2,2,3,3,3-Pentafluoropropyl 3-(diethylamino)propanoate
CID 59204036
2,2,2-Trifluoroethyl 3-(diethylamino)propanoate
CID 59204042
2,2,3,3,3-Pentafluoropropyl 3-(dimethylamino)propanoate
CID 59204055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate (CID 60892739) is methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(C)CC(F)(F)F.
What is the InChIKey of methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is HILCFSLCTGBDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)4-3-6(12)13-2/h3-5H2,1-2H3.
What are the key properties of methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 199.17 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60892739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).