N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine

C8H17F3N2O2 — CID 135213114

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
SMILESNCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c9-8(10,11)7-13-2-4-15-6-5-14-3-1-12/h13H,1-7,12H2
InChIKeyRUHXQVVXSOAUHH-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.13
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine (PubChem CID 135213114) has the molecular formula C8H17F3N2O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
PubChem CID135213114
Molecular FormulaC8H17F3N2O2
Molecular Weight230.23 g/mol
Exact Mass230.12
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
SMILESNCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2O2/c9-8(10,11)7-13-2-4-15-6-5-14-3-1-12/h13H,1-7,12H2
InChIKeyRUHXQVVXSOAUHH-UHFFFAOYSA-N
XLogP0.13
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
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-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine (CID 135213114) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine is NCCOCCOCCNCC(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is RUHXQVVXSOAUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2/c9-8(10,11)7-13-2-4-15-6-5-14-3-1-12/h13H,1-7,12H2.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 230.23 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 135213114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).