Home > Compound List > Compound details
41874-81-1 molecular structure
click picture or here to close

2-bromo-2,3,3,3-tetrafluoropropanoyl bromide

ChemBase ID: 94290
Molecular Formular: C3Br2F4O
Molecular Mass: 287.8331128
Monoisotopic Mass: 285.8252015
SMILES and InChIs

SMILES:
BrC(=O)C(C(F)(F)F)(F)Br
Canonical SMILES:
BrC(=O)C(C(F)(F)F)(Br)F
InChI:
InChI=1S/C3Br2F4O/c4-1(10)2(5,6)3(7,8)9
InChIKey:
UOXZNFHPGQEABB-UHFFFAOYSA-N

Cite this record

CBID:94290 http://www.chembase.cn/molecule-94290.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-2,3,3,3-tetrafluoropropanoyl bromide
IUPAC Traditional name
2-bromo-2,3,3,3-tetrafluoropropanoyl bromide
Synonyms
2-Bromo-2,3,3,3-tetrafluoropropanoyl bromide 97%
CAS Number
41874-81-1
MDL Number
MFCD00153722
PubChem SID
162080944
PubChem CID
2736381

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC1567N external link Add to cart Please log in.
Data Source Data ID
PubChem 2736381 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6881156  LogD (pH = 7.4) 2.6881156 
Log P 2.6881156  Molar Refractivity 32.5144 cm3
Polarizability 12.898312 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
88°C expand Show data source
Storage Warning
Corrosive 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