(prop-2-en-1-yl)(3,3,3-trifluoropropyl)amine

• ChemBase ID: 236334
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: C(CCNCC=C)(F)(F)F
• Canonical SMILES: C=CCNCCC(F)(F)F
• InChI: InChI=1S/C6H10F3N/c1-2-4-10-5-3-6(7,8)9/h2,10H,1,3-5H2
• InChIKey: CFIAPUWIUVKHND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(3,3,3-trifluoropropyl)amine
• IUPAC Traditional name: prop-2-en-1-yl(3,3,3-trifluoropropyl)amine
• Synonyms: prop-2-en-1-yl(3,3,3-trifluoropropyl)amine

Database IDs

• MDL Number: MFCD18262820
• PubChem SID: 164292244
• PubChem CID: 60685842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4555335
• LogD (pH = 7.4): 0.20843564
• Log P: 1.5097437
• Molar Refractivity: 33.758 cm^3
• Polarizability: 12.415869 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.028

Product Information

• Purity: 95%