CAS 423-65-4|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecan-1-ol|1-Hydroxy-2,2,3,3,4,4,5,5,6...

General Information

Structure

Molecular Formula

C₁₂H₃F₂₃O

Molecular Mass

600.1148936

Exact Mass

599.98166378

Charge

InChI

InChI=1S/C12H3F23O/c13-2(14,1-36)3(15,16)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)35/h36H,1H2

InChIKey

SHTZQFTXUMCALC-UHFFFAOYSA-N

Canonic Smiles

OCC(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

Isomeric Smiles

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)(C(C(F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

12.621079

H Acceptors

H Donor

LogD (pH = 5.5)

7.4429464

LogD (pH = 7.4)

7.4429436

Log P

7.4429464

Molar Refractivity

60.3914

Polarizability

24.165722

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol

Synonyms

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecan-1-ol1-Hydroxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecane1H,1H-Perfluorododecan-1-ol 96%1H,1H-Perfluoro-1-dodecanol1H,1H-全氟-1-十二(烷)醇1H,1H-Perfluoro-1-dodecanol

IUPAC name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

EC Number

MDL Number