N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine

C5H8F3N3 — CID 70548032

IUPACN-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)C(F)NC1=NCCN1
InChIInChI=1S/C5H8F3N3/c6-3(7)4(8)11-5-9-1-2-10-5/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyJAFVJNYAJGGLHD-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.10
Rot. Bonds2

About N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70548032) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70548032
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC NameN-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)C(F)NC1=NCCN1
InChIInChI=1S/C5H8F3N3/c6-3(7)4(8)11-5-9-1-2-10-5/h3-4H,1-2H2,(H2,9,10,11)
InChIKeyJAFVJNYAJGGLHD-UHFFFAOYSA-N
XLogP0.10
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 70548032) is N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is FC(F)C(F)NC1=NCCN1.
What is the InChIKey of N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JAFVJNYAJGGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3/c6-3(7)4(8)11-5-9-1-2-10-5/h3-4H,1-2H2,(H2,9,10,11).
What are the key properties of N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 167.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70548032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).