N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H16F3NO2 — CID 104748282

IUPACN-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H16F3NO2/c1-13-8(7-2-3-14-4-7)5-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyVRJXZYNJUHFGFQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.19
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 104748282) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID104748282
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H16F3NO2/c1-13-8(7-2-3-14-4-7)5-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyVRJXZYNJUHFGFQ-UHFFFAOYSA-N
XLogP1.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 104748282) is N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VRJXZYNJUHFGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-13-8(7-2-3-14-4-7)5-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 227.23 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 104748282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).