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4141-91-7 molecular structure
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1,1,1,3,3,3-hexafluoro-2-iodopropane

ChemBase ID: 797984
Molecular Formular: C3HF6I
Molecular Mass: 277.9349292
Monoisotopic Mass: 277.90271735
SMILES and InChIs

SMILES:
C(C(C(F)(F)F)I)(F)(F)F
Canonical SMILES:
IC(C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C3HF6I/c4-2(5,6)1(10)3(7,8)9/h1H
InChIKey:
KQSPFAXUTMJXCT-UHFFFAOYSA-N

Cite this record

CBID:797984 http://www.chembase.cn/molecule-797984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,3,3,3-hexafluoro-2-iodopropane
IUPAC Traditional name
1,1,1,3,3,3-hexafluoro-2-iodopropane
Synonyms
1,1,1,3,3,3-Hexafluoro-2-iodo-propane
CAS Number
4141-91-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10180 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10180 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.095038  LogD (pH = 7.4) 3.095038 
Log P 3.095038  Molar Refractivity 30.0895 cm3
Polarizability 11.862824 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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