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34779-65-2 molecular structure
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2-[2-(trifluoromethyl)phenyl]acetamide

ChemBase ID: 180118
Molecular Formular: C9H8F3NO
Molecular Mass: 203.1611296
Monoisotopic Mass: 203.05579854
SMILES and InChIs

SMILES:
C(=O)(Cc1c(cccc1)C(F)(F)F)N
Canonical SMILES:
NC(=O)Cc1ccccc1C(F)(F)F
InChI:
InChI=1S/C9H8F3NO/c10-9(11,12)7-4-2-1-3-6(7)5-8(13)14/h1-4H,5H2,(H2,13,14)
InChIKey:
RBYZOKNDDRTADS-UHFFFAOYSA-N

Cite this record

CBID:180118 http://www.chembase.cn/molecule-180118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(trifluoromethyl)phenyl]acetamide
IUPAC Traditional name
2-[2-(trifluoromethyl)phenyl]acetamide
Synonyms
2-(Trifluoromethyl)phenylacetamide
CAS Number
34779-65-2
PubChem SID
164236028
PubChem CID
2760752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
CHB86262 external link Add to cart Please log in.
Data Source Data ID
PubChem 2760752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.012027  H Acceptors
H Donor LogD (pH = 5.5) 1.6818999 
LogD (pH = 7.4) 1.6819  Log P 1.6819 
Molar Refractivity 45.1615 cm3 Polarizability 16.434935 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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