1,1,2-trifluorodec-1-ene

• ChemBase ID: 8099
• Molecular Formular: C10H17F3
• Molecular Mass: 194.2371896
• Monoisotopic Mass: 194.1282352
• SMILES: C(=C(F)CCCCCCCC)(F)F
• Canonical SMILES: CCCCCCCCC(=C(F)F)F
• InChI: InChI=1S/C10H17F3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h2-8H2,1H3
• InChIKey: VAKNUCCHIZRRRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trifluorodec-1-ene
• IUPAC Traditional name: 1,1,2-trifluorodec-1-ene
• Synonyms: 1-(Oct-1-yl)-1,2,2-trifluoroethene; 1,1,2-Trifluorodec-1-ene 97%; 1,1,2-Trifluoro-1-decene

Database IDs

• CAS Number: 692-05-7
• MDL Number: MFCD00156047
• PubChem SID: 160971406
• PubChem CID: 2777106

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4040875
• LogD (pH = 7.4): 4.4040875
• Log P: 4.4040875
• Molar Refractivity: 59.2677 cm^3
• Polarizability: 18.121183 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 91°C/90mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%