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2712-78-9 molecular structure
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phenylbis(2,2,2-trifluoroethoxy)-λ3-iodane

ChemBase ID: 180164
Molecular Formular: C10H9F6IO2
Molecular Mass: 402.0721492
Monoisotopic Mass: 401.95514685
SMILES and InChIs

SMILES:
C(CO[I](OCC(F)(F)F)c1ccccc1)(F)(F)F
Canonical SMILES:
FC(CO[I](c1ccccc1)OCC(F)(F)F)(F)F
InChI:
InChI=1S/C10H9F6IO2/c11-9(12,13)6-18-17(19-7-10(14,15)16)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey:
BUKOKLAGGXEPIR-UHFFFAOYSA-N

Cite this record

CBID:180164 http://www.chembase.cn/molecule-180164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylbis(2,2,2-trifluoroethoxy)-λ3-iodane
IUPAC Traditional name
phenylbis(2,2,2-trifluoroethoxy)-λ3-iodane
Synonyms
[Bis(trifluoroethoxy)iodo]benzene
CAS Number
2712-78-9
PubChem SID
164236074
PubChem CID
46176594

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 46176594 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5592318  LogD (pH = 7.4) 4.5592318 
Log P 4.5592318  Molar Refractivity 63.8091 cm3
Polarizability 25.124975 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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