2-IMIDAZOLINE, 2-(p-TRIFLUOROMETHYLBENZYL)-
Basic information
- CAS
3038-60-6- Standard SMILES
FC(F)(F)c1ccc(CC2=NCCN2)cc1- InChIKey
OXIKUCONSRWLPM-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.08743285
Names & identifiers
- Preferred name
- 2-IMIDAZOLINE, 2-(p-TRIFLUOROMETHYLBENZYL)-
- IUPAC
- 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
- English name
- 2-(p-Trifluoromethylbenzyl)-2-imidazoline
- Molecular formula
- C11H11F3N2
- Molecular weight
- 228.21
Names & synonyms
3038-60-62-IMIDAZOLINE, 2-(p-TRIFLUOROMETHYLBENZYL)-2-(p-Trifluoromethylbenzyl)-2-imidazolineBRN 0915364DTXSID901844642-{[4-(TRIFLUOROMETHYL)PHENYL]METHYL}-4,5-DIHYDRO-1H-IMIDAZOLE2-[4-(Trifluoromethyl)benzyl]-2-imidazoline1H-Imidazole, 4,5-dihydro-2-[[4-(trifluoromethyl)phenyl]methyl]-
Database identifiers
- CAS
3038-60-6- PubChem CID
- 18218
- DTXSID
DTXSID90184464- Nikkaji
- J40.929D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 100 · 100-102 °C
- Boiling point
- 338.3 · 338.3±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.40(Predicted)
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Related reactions
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Compound notes
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