2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole

C4H5F3N2O — CID 123146737

IUPAC2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)OC1=NCCN1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)10-3-8-1-2-9-3/h1-2H2,(H,8,9)
InChIKeyFQTCAPJRGNSPJZ-UHFFFAOYSA-N
MW154.09 g/mol
LogP0.48
Rot. Bonds

About 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole

2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole (PubChem CID 123146737) has the molecular formula C4H5F3N2O and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole
PubChem CID123146737
Molecular FormulaC4H5F3N2O
Molecular Weight154.09 g/mol
Exact Mass154.04
IUPAC Name2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)OC1=NCCN1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)10-3-8-1-2-9-3/h1-2H2,(H,8,9)
InChIKeyFQTCAPJRGNSPJZ-UHFFFAOYSA-N
XLogP0.48
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole (CID 123146737) is 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole is FC(F)(F)OC1=NCCN1.
What is the InChIKey of 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole?
The InChIKey is FQTCAPJRGNSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2O/c5-4(6,7)10-3-8-1-2-9-3/h1-2H2,(H,8,9).
What are the key properties of 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole?
2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole has a molecular weight of 154.09 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 123146737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).