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44507-93-9 molecular structure
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2,2-difluoro-2-iodoacetyl fluoride

ChemBase ID: 97659
Molecular Formular: C2F3IO
Molecular Mass: 223.9204796
Monoisotopic Mass: 223.89459728
SMILES and InChIs

SMILES:
O=C(F)C(I)(F)F
Canonical SMILES:
FC(=O)C(I)(F)F
InChI:
InChI=1S/C2F3IO/c3-1(7)2(4,5)6
InChIKey:
GJZXYLHNHSDAKH-UHFFFAOYSA-N

Cite this record

CBID:97659 http://www.chembase.cn/molecule-97659.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-difluoro-2-iodoacetyl fluoride
IUPAC Traditional name
2,2-difluoro-2-iodoacetyl fluoride
Synonyms
Iododifluoroacetyl fluoride
CAS Number
44507-93-9
MDL Number
MFCD04039281
PubChem SID
162084244
PubChem CID
2782517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2782517 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2317  LogD (pH = 7.4) 1.2317 
Log P 1.2317  Molar Refractivity 25.8521 cm3
Polarizability 10.186553 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
40-41°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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