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

C10H18F3NO2 — CID 104748280

IUPACN-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-2-14-9(8-3-4-15-5-8)6-16-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyUWEPBXOMJBFIPF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

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

N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 104748280) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID104748280
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-2-14-9(8-3-4-15-5-8)6-16-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyUWEPBXOMJBFIPF-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 104748280) is N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is UWEPBXOMJBFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-2-14-9(8-3-4-15-5-8)6-16-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 104748280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).