CAS 2070-70-4|Nonafluoro-4-(trifluoromethyl)pent-2-ene|1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene|Perfluoro(4-methylpent-2-ene)|1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2...

General Information

Structure

Molecular Formula

C₆F₁₂

Molecular Mass

300.0450384

Exact Mass

299.98083864

Charge

InChI

InChI=1S/C6F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/b2-1+

InChIKey

SAPOZTRFWJZUFT-OWOJBTEDSA-N

Canonic Smiles

F/C(=C(\C(C(F)(F)F)(C(F)(F)F)F)/F)/C(F)(F)F

Isomeric Smiles

C(=C(\C(C(F)(F)F)(F)C(F)(F)F)/F)(/C(F)(F)F)\F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.2993956

LogD (pH = 7.4)

3.2993956

Log P

3.2993956

Molar Refractivity

33.0535

Polarizability

11.834584

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Nonafluoro-4-(trifluoromethyl)pent-2-enePerfluoro(4-methylpent-2-ene)全氟(4-甲基-2-戊烯), [(E):(Z) 9:1]Dodecafluoro(4-methyl-2-pentene)Perfluoro(4-methyl-2-pentene), [(E):(Z) 9:1]

IUPAC name

1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene

IUPAC Traditional name

1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Boiling Point

49°C

Flash Point

none°C

Density

1.5873

Refractive Index

<1.3000

Product Information

90%

90+%, cont 5-10% perfluoro(2-methyl-2-pentene)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC6122R

Contains 5-10% Perfluoro(2-methylpent-2-ene)

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

Nonafluoro-4-(trifluoromethyl)pent-2-enePerfluoro(4-methylpent-2-ene)全氟(4-甲基-2-戊烯), [(E):(Z) 9:1]Dodecafluoro(4-methyl-2-pentene)Perfluoro(4-methyl-2-pentene), [(E):(Z) 9:1]

IUPAC name

1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene

IUPAC Traditional name

1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene (2E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pent-2-ene

Registration numbers

MDL Number

MFCD00153253

CAS Number

2070-70-4

PubChem SID

160969746

PubChem CID