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

C5H8F3N3 — CID 70548029

IUPACN-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)CNC1=NCCN1
InChIInChI=1S/C5H8F3N3/c6-5(7,8)3-11-4-9-1-2-10-4/h1-3H2,(H2,9,10,11)
InChIKeyFHMROQZFGMIIOQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.10
Rot. Bonds1

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

N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70548029) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70548029
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC NameN-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)(F)CNC1=NCCN1
InChIInChI=1S/C5H8F3N3/c6-5(7,8)3-11-4-9-1-2-10-4/h1-3H2,(H2,9,10,11)
InChIKeyFHMROQZFGMIIOQ-UHFFFAOYSA-N
XLogP0.10
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 70548029) is N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is FC(F)(F)CNC1=NCCN1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FHMROQZFGMIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3/c6-5(7,8)3-11-4-9-1-2-10-4/h1-3H2,(H2,9,10,11).
What are the key properties of N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 167.13 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70548029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).