CAS 2043-47-2|1H,1H,2H,2H-Perfluorohexan-1-ol|3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol|3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol|2-(Nonafluorobut-1-yl)ethan-1-ol|2-(Perfluorobut-1-yl)ethan-1-ol|3,3,4,4,5...

General Information

Structure

Molecular Formula

C₆H₅F₉O

Molecular Mass

264.0889288

Exact Mass

264.01966876

Charge

InChI

InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2

InChIKey

JCMNMOBHVPONLD-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

15.763862

H Acceptors

H Donor

LogD (pH = 5.5)

2.8087504

LogD (pH = 7.4)

2.8087504

Log P

2.8087504

Molar Refractivity

32.1672

Polarizability

12.346117

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1H,1H,2H,2H-Perfluorohexan-1-ol2-(Nonafluorobut-1-yl)ethan-1-ol2-(Perfluorobut-1-yl)ethan-1-ol3,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol 97%3,3,4,4,5,5,6,6,6-九氟-1-己醇1H,1H,2H,2H-Perfluorohexan-1-ol1H,1H,2H,2H-全氟己-1-醇3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol

IUPAC Traditional name

3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol

IUPAC name

3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol

Names and Identifiers

Registration numbers

PubChem SID

16097056624877913

PubChem CID

74883

EC Number

218-050-9