CAS 120695-78-5|1-Iodo-4-(trifluoromethyl)octafluoropent-2-ene 97%|1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene|1-Iodoperfluoro(4-methylpent-2-ene)|1,1,2,3,4,5,5,5-octafluoro-1-io...

General Information

Structure

Molecular Formula

C₆F₁₁I

Molecular Mass

407.9511052

Exact Mass

407.88690842

Charge

InChI

InChI=1S/C6F11I/c7-1(2(8)4(10,11)18)3(9,5(12,13)14)6(15,16)17

InChIKey

BJZGOHYMGKSXBU-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/F)(F)I

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5052

LogD (pH = 7.4)

2.5052

Log P

2.5052

Molar Refractivity

46.0282

Polarizability

17.22147

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1-Iodo-4-(trifluoromethyl)octafluoropent-2-ene 97%1-Iodoperfluoro(4-methylpent-2-ene)1-Iodo-4-(trifluoromethyl)octafluoro-2-pentenePerfluoro(4-methyl-2-pentenyl) iodide1-Iodoperfluoro(4-methyl-2-pentene)1-碘全氟(4-甲基-2-戊烯)

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number

Registration numbers

Properties

Physical Property

Boiling Point

32-33°C/50mm

Safety Information

Storage Warning

Toxic

Light Sensitive

Risk Statements

36/37/38

Safety Statements

26-37

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

TSCA Listed

否

Product Information

Purity

94%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

Synonyms

IUPAC Traditional name

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

IUPAC name

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

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number

Properties

Physical Property

Boiling Point

32-33°C/50mm

Safety Information

Storage Warning

Toxic

Light Sensitive

Risk Statements

36/37/38

Safety Statements

26-37

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

TSCA Listed

否

Product Information

Purity

94%

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:97860