CAS 307-30-2|pentadecafluoro-1-octanol|1H,1H-Pentadecafluoro-1-octanol|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol|1H,1H-Perfluorooctan-1-ol 98%|2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟-1-辛...

General Information

Structure

Molecular Formula

C₈H₃F₁₅O

Molecular Mass

400.084868

Exact Mass

399.99443802

Charge

InChI

InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2

InChIKey

PJDOLCGOTSNFJM-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

C(CO)(C(C(C(C(C(C(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)

4.6403756

LogD (pH = 7.4)

4.6403728

Log P

4.6403756

Molar Refractivity

41.7194

Polarizability

16.498053

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-ol

IUPAC Traditional name

pentadecafluoro-1-octanol

Synonyms

1H,1H-Pentadecafluoro-1-octanol1H,1H-Perfluorooctan-1-ol 98%2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟-1-辛醇2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol1H,1H-Perfluoro-1-octanol2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol1H,1H-全氟-1-辛醇

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID