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

C8H14F3NO2 — CID 62737139

IUPACmethyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCCN(CCC(F)(F)F)CC(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-3-12(6-7(13)14-2)5-4-8(9,10)11/h3-6H2,1-2H3
InChIKeyQQQZJPQIMHHEJZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.43
Rot. Bonds5

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

methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate (PubChem CID 62737139) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate
PubChem CID62737139
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate
SMILESCCN(CCC(F)(F)F)CC(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-3-12(6-7(13)14-2)5-4-8(9,10)11/h3-6H2,1-2H3
InChIKeyQQQZJPQIMHHEJZ-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 methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate (CID 62737139) is methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate is CCN(CCC(F)(F)F)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate?
The InChIKey is QQQZJPQIMHHEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-12(6-7(13)14-2)5-4-8(9,10)11/h3-6H2,1-2H3.
What are the key properties of methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate?
methyl 2-[ethyl(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 methyl 2-[ethyl(3,3,3-trifluoropropyl)amino]acetate is sourced from PubChem (CID 62737139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).