ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate

C8H14F3NO2 — CID 62736946

IUPACethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCCOC(=O)CN(C)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-7(13)6-12(2)5-4-8(9,10)11/h3-6H2,1-2H3
InChIKeyPXCUTTAUSWDDRA-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.43
Rot. Bonds5

About ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate

ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate (PubChem CID 62736946) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
PubChem CID62736946
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCCOC(=O)CN(C)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-14-7(13)6-12(2)5-4-8(9,10)11/h3-6H2,1-2H3
InChIKeyPXCUTTAUSWDDRA-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate (CID 62736946) is ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate is CCOC(=O)CN(C)CCC(F)(F)F.
What is the InChIKey of ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
The InChIKey is PXCUTTAUSWDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-14-7(13)6-12(2)5-4-8(9,10)11/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate?
ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate has a molecular weight of 213.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(3,3,3-trifluoropropyl)amino]acetate is sourced from PubChem (CID 62736946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).