(undecafluorocyclohexyl)methyl prop-2-enoate

• ChemBase ID: 12068
• Molecular Formular: C10H5F11O2
• Molecular Mass: 366.1279352
• Monoisotopic Mass: 366.01138982
• SMILES: C1(C(C(C(C(C1(F)F)(COC(=O)C=C)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H5F11O2/c1-2-4(22)23-3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2
• InChIKey: OZGWOALFBHODRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (undecafluorocyclohexyl)methyl prop-2-enoate
• IUPAC Traditional name: (undecafluorocyclohexyl)methyl prop-2-enoate
• Synonyms: Perfluorocyclohexylmethyl acrylate; (Perfluorocyclohexyl)methyl acrylate; Acrylic acid (perfluorocyclohexyl)methyl ester; (Perfluorocyclohexyl)methyl acrylate; (全氟环己基)甲基 丙烯酸酯

Database IDs

• CAS Number: 40677-94-9
• MDL Number: MFCD00080614
• PubChem SID: 160975375
• PubChem CID: 2776049

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.428389
• LogD (pH = 7.4): 4.428389
• Log P: 4.428389
• Molar Refractivity: 47.5915 cm^3
• Polarizability: 18.633898 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• TSCA Listed: false; 否

Product Information

• Purity: 96%, stab. with 100ppm 4-methoxyphenol; 97%