N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H18F3NO3 — CID 104760767

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOC1(CNCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO3/c1-15-9(2-4-16-7-9)6-14-3-5-17-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyHBHDVAPEMLDWBM-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.96
Rot. Bonds7

About N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 104760767) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID104760767
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOC1(CNCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO3/c1-15-9(2-4-16-7-9)6-14-3-5-17-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyHBHDVAPEMLDWBM-UHFFFAOYSA-N
XLogP0.96
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 104760767) is N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is COC1(CNCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HBHDVAPEMLDWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-15-9(2-4-16-7-9)6-14-3-5-17-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 257.25 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 104760767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).