2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine

C9H16F3NO2 — CID 114467715

IUPAC2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2)7-14-5-3-13-4-6-15-9(10,11)12/h13H,1,3-7H2,2H3
InChIKeyVNFWYQJGPVEBFK-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.71
Rot. Bonds8

About 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine

2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 114467715) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID114467715
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCOC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2)7-14-5-3-13-4-6-15-9(10,11)12/h13H,1,3-7H2,2H3
InChIKeyVNFWYQJGPVEBFK-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
3,3,3-Trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
CID 103367609
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 103516110
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 105910557
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine
CID 106546945
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylbut-2-en-1-amine
CID 106547431
6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 114467715) is 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine is C=C(C)COCCNCCOC(F)(F)F.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is VNFWYQJGPVEBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2)7-14-5-3-13-4-6-15-9(10,11)12/h13H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 227.23 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 114467715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).