CAS 2994-71-0|CAS 28677-00-1|1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane|1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane|Perfluoro-1,2-dimethylcyclobutane|Perfluoro(dimethy...

General Information

Structure

Molecular Formula

C₆F₁₂

Molecular Mass

300.0450384

Exact Mass

299.98083864

Charge

InChI

InChI=1S/C6F12/c7-1(5(13,14)15)2(8,6(16,17)18)4(11,12)3(1,9)10

InChIKey

RBTROQHBNLSUTL-UHFFFAOYSA-N

Canonic Smiles

FC(C1(F)C(F)(F)C(C1(F)C(F)(F)F)(F)F)(F)F

Isomeric Smiles

C1(C(C(C1(F)C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6805289

LogD (pH = 7.4)

3.6805289

Log P

3.6805289

Molar Refractivity

28.5562

Polarizability

11.513795

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane

IUPAC name

1,1,2,2,3,4-hexafluoro-3,4-bis(trifluoromethyl)cyclobutane

Synonyms

Perfluoro-1,2-dimethylcyclobutanePerfluoro(dimethylcyclobutane) 97%全氟-1,2-二甲基环丁烷（顺反异构体混合物）1,1,2,2,3,4-Hexafluoro-3,4-bis(trifluoromethyl)cyclobutane, mixture of cis and transPerfluoro-1,2-dimethylcyclobutaneDodecafluorodimethylcyclobutane全氟-1,2-二甲基环丁烷

Names and Identifiers

Registration numbers

MDL Number

EC Number

CAS Number

PubChem SID

PubChem CID