3-(3,3,3-trifluoropropoxy)prop-1-ene

• ChemBase ID: 239380
• Molecular Formular: C6H9F3O
• Molecular Mass: 154.1302696
• Monoisotopic Mass: 154.06054957
• SMILES: C(CCOCC=C)(F)(F)F
• Canonical SMILES: C=CCOCCC(F)(F)F
• InChI: InChI=1S/C6H9F3O/c1-2-4-10-5-3-6(7,8)9/h2H,1,3-5H2
• InChIKey: FBNXHTBHDAMBPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,3,3-trifluoropropoxy)prop-1-ene
• IUPAC Traditional name: 3-(3,3,3-trifluoropropoxy)prop-1-ene
• Synonyms: 3-(3,3,3-trifluoropropoxy)prop-1-ene

Database IDs

• MDL Number: MFCD22392061
• PubChem SID: 164295290
• PubChem CID: 22975860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7977662
• LogD (pH = 7.4): 1.7977662
• Log P: 1.7977662
• Molar Refractivity: 32.0771 cm^3
• Polarizability: 11.703118 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.358

Product Information

• Purity: 95%