2,3,3-trifluoroprop-1-ene

• ChemBase ID: 98544
• Molecular Formular: C3H3F3
• Molecular Mass: 96.0511296
• Monoisotopic Mass: 96.01868476
• SMILES: FC(C(=C)F)F
• Canonical SMILES: FC(=C)C(F)F
• InChI: InChI=1S/C3H3F3/c1-2(4)3(5)6/h3H,1H2
• InChIKey: JMRIJKGIVGYIAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3-trifluoroprop-1-ene
• IUPAC Traditional name: 2,3,3-trifluoroprop-1-ene
• Synonyms: 1243yf; 2,3,3-Trifluoroprop-1-ene

Database IDs

• CAS Number: 158664-13-2
• MDL Number: MFCD10565608
• PubChem SID: 162084952
• PubChem CID: 19050220

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1445309
• LogD (pH = 7.4): 1.1445309
• Log P: 1.1445309
• Molar Refractivity: 15.8199 cm^3
• Polarizability: 5.6588597 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC5756

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