2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecan-1-ol

• ChemBase ID: 8103
• Molecular Formular: C14H3F27O
• Molecular Mass: 700.1299064
• Monoisotopic Mass: 699.97527666
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h42H,1H2
• InChIKey: WYCXYEWKMLSDBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecan-1-ol
• Synonyms: 1H,1H-Perfluorotetradecan-1-ol 96%; 1H,1H-Perfluoro-1-tetradecanol; 1H,1H-Perfluoro-1-tetradecanol; 1H,1H-全氟-1-十四(烷)

Database IDs

• CAS Number: 15622-57-8
• EC Number: 000-000-0
• MDL Number: MFCD00153264
• PubChem SID: 160971410
• PubChem CID: 2776373

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.844232
• LogD (pH = 7.4): 8.844229
• Log P: 8.844232
• Molar Refractivity: 69.7274 cm^3
• Polarizability: 28.000643 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 129-132°C; 137-140°C
• Boiling Point: 130°C/20mm; 130°C/60mm; 130°C/60mm

Safety Information

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

Product Information

• Purity: 95%; 96%