N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine

C8H15F3N2O2 — CID 83021805

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine
SMILESFC(F)(F)COCCNN1CCOCC1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7-15-4-1-12-13-2-5-14-6-3-13/h12H,1-7H2
InChIKeyXJRWJJJZGPOOND-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.40
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine (PubChem CID 83021805) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine
PubChem CID83021805
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine
SMILESFC(F)(F)COCCNN1CCOCC1
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)7-15-4-1-12-13-2-5-14-6-3-13/h12H,1-7H2
InChIKeyXJRWJJJZGPOOND-UHFFFAOYSA-N
XLogP0.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.40
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-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine (CID 83021805) is N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine is FC(F)(F)COCCNN1CCOCC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine?
The InChIKey is XJRWJJJZGPOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)7-15-4-1-12-13-2-5-14-6-3-13/h12H,1-7H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine has a molecular weight of 228.21 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine is sourced from PubChem (CID 83021805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).