Home > Compound List > Compound details
1647-57-0 molecular structure
click picture or here to close

2,3,3,3-tetrafluoropropanamide

ChemBase ID: 8048
Molecular Formular: C3H3F4NO
Molecular Mass: 145.0556328
Monoisotopic Mass: 145.0150766
SMILES and InChIs

SMILES:
C(C(C(=O)N)F)(F)(F)F
Canonical SMILES:
FC(C(F)(F)F)C(=O)N
InChI:
InChI=1S/C3H3F4NO/c4-1(2(8)9)3(5,6)7/h1H,(H2,8,9)
InChIKey:
LBYKCQDGXLJODK-UHFFFAOYSA-N

Cite this record

CBID:8048 http://www.chembase.cn/molecule-8048.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,3,3-tetrafluoropropanamide
IUPAC Traditional name
2,3,3,3-tetrafluoropropanamide
Synonyms
2,3,3,3-Tetrafluoropropionamide 97%
2,3,3,3-Tetrafluoropropionamide
CAS Number
1647-57-0
MDL Number
MFCD00069119
PubChem SID
160971355
PubChem CID
2776736

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776736 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.7789106  H Acceptors
H Donor LogD (pH = 5.5) 0.19109544 
LogD (pH = 7.4) -0.32595044  Log P 0.21060793 
Molar Refractivity 19.6714 cm3 Polarizability 7.4667 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52-54°C expand Show data source
59°C expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% 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