Home > Compound List > Compound details
3831-49-0 molecular structure
click picture or here to close

1,1,1,2-tetrafluoro-2-iodoethane

ChemBase ID: 99238
Molecular Formular: C2HF4I
Molecular Mass: 227.9274228
Monoisotopic Mass: 227.90591091
SMILES and InChIs

SMILES:
FC(F)(F)C(I)F
Canonical SMILES:
FC(C(F)(F)F)I
InChI:
InChI=1S/C2HF4I/c3-1(7)2(4,5)6/h1H
InChIKey:
JDAWHMRSFSKYTB-UHFFFAOYSA-N

Cite this record

CBID:99238 http://www.chembase.cn/molecule-99238.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2-tetrafluoro-2-iodoethane
IUPAC Traditional name
1,1,1,2-tetrafluoro-2-iodoethane
Synonyms
1-Iodo-1,2,2,2-tetrafluoroethane
1,2,2,2-Tetrafluoroethyl iodide
1-Iodo-1H-tetrafluoroethane 98%
CAS Number
3831-49-0
MDL Number
MFCD00155949
PubChem SID
162085524
PubChem CID
2776659

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC6783B external link Add to cart Please log in.
Data Source Data ID
PubChem 2776659 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.922043  H Acceptors
H Donor LogD (pH = 5.5) 2.6494908 
LogD (pH = 7.4) 2.6494908  Log P 2.6494908 
Molar Refractivity 24.5242 cm3 Polarizability 9.971163 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle