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

C9H16F3NO3 — CID 104761012

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
SMILESCOC1(CNCCOC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c1-14-8(2-4-15-7-8)6-13-3-5-16-9(10,11)12/h13H,2-7H2,1H3
InChIKeyYLHOAYGCFDZMBW-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.92
Rot. Bonds6

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

N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine (PubChem CID 104761012) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
PubChem CID104761012
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
SMILESCOC1(CNCCOC(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c1-14-8(2-4-15-7-8)6-13-3-5-16-9(10,11)12/h13H,2-7H2,1H3
InChIKeyYLHOAYGCFDZMBW-UHFFFAOYSA-N
XLogP0.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine (CID 104761012) is N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine is COC1(CNCCOC(F)(F)F)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine?
The InChIKey is YLHOAYGCFDZMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-14-8(2-4-15-7-8)6-13-3-5-16-9(10,11)12/h13H,2-7H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine has a molecular weight of 243.22 g/mol, XLogP of 0.92, 6 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-(trifluoromethoxy)ethanamine is sourced from PubChem (CID 104761012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).