(3-bromopropyl)(propan-2-yl)(2,2,2-trifluoroethyl)amine hydrobromide

• ChemBase ID: 249168
• Molecular Formular: C8H16Br2F3N
• Molecular Mass: 343.0225496
• Monoisotopic Mass: 340.96015818
• SMILES: C(CN(C(C)C)CCCBr)(F)(F)F.Br
• Canonical SMILES: BrCCCN(C(C)C)CC(F)(F)F.Br
• InChI: InChI=1S/C8H15BrF3N.BrH/c1-7(2)13(5-3-4-9)6-8(10,11)12;/h7H,3-6H2,1-2H3;1H
• InChIKey: RPADOAJJGMUYLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)(propan-2-yl)(2,2,2-trifluoroethyl)amine hydrobromide
• IUPAC Traditional name: (3-bromopropyl)(isopropyl)(2,2,2-trifluoroethyl)amine hydrobromide
• Synonyms: (3-bromopropyl)(propan-2-yl)(2,2,2-trifluoroethyl)amine hydrobromide

Database IDs

• PubChem SID: 164305078
• PubChem CID: 71758682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8272576
• LogD (pH = 7.4): 2.8285768
• Log P: 2.8285935
• Molar Refractivity: 51.7978 cm^3
• Polarizability: 19.283934 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.71

Product Information

• Purity: 95%