N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C10H18F3NO2 — CID 63712741

IUPACN-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-14-7-9-1-4-15-5-2-9/h9,14H,1-8H2
InChIKeyMNIISCBPIJMKGI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

About N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63712741) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63712741
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-14-7-9-1-4-15-5-2-9/h9,14H,1-8H2
InChIKeyMNIISCBPIJMKGI-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

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-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63712741) is N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is MNIISCBPIJMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-14-7-9-1-4-15-5-2-9/h9,14H,1-8H2.
What are the key properties of N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(oxan-4-ylmethyl)-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-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63712741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).