CAS 307-46-0|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol|1H,1H-Perfluoroundecan-1-ol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol|UNDECANOL...

General Information

Structure

Molecular Formula

C₁₁H₃F₂₁O

Molecular Mass

550.1073872

Exact Mass

549.98485734

Charge

InChI

InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2

InChIKey

MPAMAEMOVKLPRB-UHFFFAOYSA-N

Canonic Smiles

OCC(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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

12.621079

H Acceptors

H Donor

LogD (pH = 5.5)

6.7423034

LogD (pH = 7.4)

6.742301

Log P

6.7423034

Molar Refractivity

55.7234

Polarizability

22.248459

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

1H,1H-Perfluoroundecan-1-olUNDECANOL-52,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoro-1-hydroxyundecane2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecan-1-ol1H,1H-Perfluoroundecan-1-ol 95+%2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoro-1-undecanol1H,1H-全氟辛基-1-醇

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem CID

2776412

PubChem SID

16097160724868300

MDL Number

MFCD00153269