N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H12F3N3O — CID 63000734

IUPACN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnc[nH]1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)5-15-2-1-12-3-7-4-13-6-14-7/h4,6,12H,1-3,5H2,(H,13,14)
InChIKeyPIVPZCWNEZFBJM-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.08
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63000734) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63000734
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1cnc[nH]1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)5-15-2-1-12-3-7-4-13-6-14-7/h4,6,12H,1-3,5H2,(H,13,14)
InChIKeyPIVPZCWNEZFBJM-UHFFFAOYSA-N
XLogP1.08
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63000734) is N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PIVPZCWNEZFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)5-15-2-1-12-3-7-4-13-6-14-7/h4,6,12H,1-3,5H2,(H,13,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).