CAS 2378-02-1|1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol|Perfluoro-tert-butanol|perfluoro-tert-butyl alcohol|Perfluoro-tert-butanol 99%|Nonafluoro-tert-butanol|1,1,1,3,3,3-Hexafluoro-2-(t...

General Information

Structure

Molecular Formula

C₄HF₉O

Molecular Mass

236.0357688

Exact Mass

235.98836863

Charge

InChI

InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H

InChIKey

XZNOAVNRSFURIR-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

4.9061847

H Acceptors

H Donor

LogD (pH = 5.5)

1.6395649

LogD (pH = 7.4)

-0.04690796

Log P

2.3302474

Molar Refractivity

24.1714

Polarizability

9.202966

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol

IUPAC Traditional name

perfluoro-tert-butyl alcohol

Synonyms

Perfluoro-tert-butanolNonafluoro-tert-butanolPerfluoro-tert-butanol 99%1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-ol高氟叔丁醇全氟叔丁醇1,1,1,3,3,3-Hexafluoro-2-trifluoromethyl-2-propanol1,1,1,3,3,3-六氟-2-三氟甲基-2-丙醇Perfluoro-tert-butyl alcoholNonafluoro-tert-butyl alcoholNonafluoro-tert-butyl alcoholPerfluoro-tert-butanol全氟叔丁醇

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

EC Number

MDL Number