Home > Compound List > Compound details
53441-15-9 molecular structure
click picture or here to close

2-chloro-2-fluoro-N-methylacetamide

ChemBase ID: 12010
Molecular Formular: C3H5ClFNO
Molecular Mass: 125.5293032
Monoisotopic Mass: 125.00436969
SMILES and InChIs

SMILES:
C(=O)(C(F)Cl)NC
Canonical SMILES:
CNC(=O)C(Cl)F
InChI:
InChI=1S/C3H5ClFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKey:
MGPTVVOTWUGZJQ-UHFFFAOYSA-N

Cite this record

CBID:12010 http://www.chembase.cn/molecule-12010.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-2-fluoro-N-methylacetamide
IUPAC Traditional name
2-chloro-2-fluoro-N-methylacetamide
Synonyms
N-Methyl chlorofluoroacetamide
N-Methyl chlorofluoroacetamide 98%
CAS Number
53441-15-9
MDL Number
MFCD04038320
PubChem SID
160975317
PubChem CID
2782386

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2782386 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.657493  H Acceptors
H Donor LogD (pH = 5.5) 0.041462112 
LogD (pH = 7.4) 0.039368704  Log P 0.041488882 
Molar Refractivity 24.4199 cm3 Polarizability 9.31527 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% 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