CAS 40723-80-6|1,1,1,2,2-pentafluoro-4-iodobutane|4-Iodo-1,1,1,2,2-pentafluorobutane|1,1,1,2,2-pentafluoro-4-iodobutane|1-Iodo-3,3,4,4,4-pentafluorobutane|1H,1H,2H,2H-Perfluorobutyl iodide|1,1,1,2,2...

General Information

Structure

Molecular Formula

C₄H₄F₅I

Molecular Mass

273.971046

Exact Mass

273.92778923

Charge

InChI

InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2

InChIKey

PPXVPFPTMXFUDE-UHFFFAOYSA-N

Canonic Smiles

ICCC(C(F)(F)F)(F)F

Isomeric Smiles

C(I)CC(F)(F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.3778298

LogD (pH = 7.4)

3.3778298

Log P

3.3778298

Molar Refractivity

34.1144

Polarizability

13.346335

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,1,1,2,2-pentafluoro-4-iodobutane

Synonyms

4-Iodo-1,1,1,2,2-pentafluorobutane1-Iodo-3,3,4,4,4-pentafluorobutane1H,1H,2H,2H-Perfluorobutyl iodide1,1,1,2,2-Pentafluoro-4-iodobutane1,1,1,2,2-五氟-4-碘丁烷1H,1H,2H,2H-全氟碘代丁烷1,1,1,2,2-Pentafluoro-4-iodobutane

IUPAC Traditional name

1,1,1,2,2-pentafluoro-4-iodobutane

Names and Identifiers

Registration numbers

MDL Number

MFCD00155910

PubChem SID

2484494416097031724873362

EC Number

255-055-5

CAS Number

40723-80-6

PubChem CID

110092

Registration numbers

Properties

Product Information

97%

≥99.0% (GC)

95+%

C4H4F5I

Physical Property

100°C

100-101 °C(lit.)

1.936 g/mL at 20 °C(lit.)

n20/D 1.391

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

1,1,1,2,2-pentafluoro-4-iodobutane

Synonyms

IUPAC Traditional name

1,1,1,2,2-pentafluoro-4-iodobutane

Registration numbers

MDL Number

MFCD00155910

PubChem SID

2484494416097031724873362

EC Number

255-055-5

CAS Number

40723-80-6

PubChem CID

110092

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Product Information

97%

≥99.0% (GC)

95+%

C4H4F5I

Physical Property

100°C

100-101 °C(lit.)

1.936 g/mL at 20 °C(lit.)

n20/D 1.391

Molecule

ID:7010