1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane

• ChemBase ID: 100906
• Molecular Formular: C14H4F25I
• Molecular Mass: 774.04611
• Monoisotopic Mass: 773.89585363
• SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(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
• InChI: InChI=1S/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2
• InChIKey: DBXLDZXWSFMBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane
• Synonyms: 14-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane; 2-(Perfluorododec-1-yl)ethyl iodide; 1-Iodo-1H,1H,2H,2H-pentacosafluorotetradecane 90%

Database IDs

• CAS Number: 30046-31-2
• MDL Number: MFCD00039413
• PubChem SID: 162087571
• PubChem CID: 121613

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.384257
• LogD (pH = 7.4): 10.384257
• Log P: 10.384257
• Molar Refractivity: 80.7944 cm^3
• Polarizability: 32.377285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 110-113°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold