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116332-62-8 molecular structure
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N-methoxy-N-methyl-3-(trifluoromethyl)benzamide

ChemBase ID: 41973
Molecular Formular: C10H10F3NO2
Molecular Mass: 233.1871096
Monoisotopic Mass: 233.06636323
SMILES and InChIs

SMILES:
c1ccc(cc1C(=O)N(C)OC)C(F)(F)F
Canonical SMILES:
CON(C(=O)c1cccc(c1)C(F)(F)F)C
InChI:
InChI=1S/C10H10F3NO2/c1-14(16-2)9(15)7-4-3-5-8(6-7)10(11,12)13/h3-6H,1-2H3
InChIKey:
PAXXRRIUUCZPEU-UHFFFAOYSA-N

Cite this record

CBID:41973 http://www.chembase.cn/molecule-41973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
IUPAC Traditional name
N-methoxy-N-methyl-3-(trifluoromethyl)benzamide
Synonyms
N-methoxy-N-methyl-3-(trifluoromethyl)benzenecarboxamide
3-[Methoxy(methyl)carbamoyl]benzotrifluoride
N-Methoxy-N-methyl-3-(trifluoromethyl)benzamide
N-Methoxy-N-methyl-3-(trifluoromethyl)-benzenecarboxamide
CAS Number
116332-62-8
MDL Number
MFCD08689665
PubChem SID
162046736
PubChem CID
14069349

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14069349 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3001897  LogD (pH = 7.4) 2.3001897 
Log P 2.3001897  Molar Refractivity 52.2537 cm3
Polarizability 18.822897 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
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
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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