CAS 461-17-6|4-Iodo-1,1,1-trifluorobutane|1,1,1-trifluoro-4-iodobutane|1,1,1-trifluoro-4-iodobutane|1-Iodo-4,4,4-trifluorobutane 99%|4,4,4-Trifluorobutyl iodide|1,1,1-三氟-4-碘丙烷,|1,1,1-Trifluoro-...

General Information

Structure

Molecular Formula

C₄H₆F₃I

Molecular Mass

237.9901196

Exact Mass

237.94663285

Charge

InChI

InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2

InChIKey

LNDGACQEAYKNOI-UHFFFAOYSA-N

Canonic Smiles

ICCCC(F)(F)F

Isomeric Smiles

C(I)CCC(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9658484

LogD (pH = 7.4)

2.9658484

Log P

2.9658484

Molar Refractivity

34.2014

Polarizability

13.172539

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,1,1-trifluoro-4-iodobutane

Synonyms

4-Iodo-1,1,1-trifluorobutane1-Iodo-4,4,4-trifluorobutane 99%4,4,4-Trifluorobutyl iodide1-Iodo-4,4,4-trifluorobutane1,1,1-三氟-4-碘丙烷,1,1,1-Trifluoro-4-iodobutane

IUPAC Traditional name

1,1,1-trifluoro-4-iodobutane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Registration numbers

Properties

Product Information

Purity

97%

98+%, stab. with copper

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

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

1,1,1-trifluoro-4-iodobutane

Synonyms

4-Iodo-1,1,1-trifluorobutane1-Iodo-4,4,4-trifluorobutane 99%4,4,4-Trifluorobutyl iodide1-Iodo-4,4,4-trifluorobutane1,1,1-三氟-4-碘丙烷,1,1,1-Trifluoro-4-iodobutane

IUPAC Traditional name

1,1,1-trifluoro-4-iodobutane

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number