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200711-22-4 molecular structure
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5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

ChemBase ID: 795956
Molecular Formular: C10H10F3N
Molecular Mass: 201.1883096
Monoisotopic Mass: 201.07653399
SMILES and InChIs

SMILES:
C1Cc2cc(c(cc2N1)C(F)(F)F)C
Canonical SMILES:
Cc1cc2CCNc2cc1C(F)(F)F
InChI:
InChI=1S/C10H10F3N/c1-6-4-7-2-3-14-9(7)5-8(6)10(11,12)13/h4-5,14H,2-3H2,1H3
InChIKey:
SJDNGKSDFPRJQU-UHFFFAOYSA-N

Cite this record

CBID:795956 http://www.chembase.cn/molecule-795956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
IUPAC Traditional name
5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
Synonyms
5-methyl-6-trifluoromethylindoline
CAS Number
200711-22-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1162 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.823904  LogD (pH = 7.4) 2.8764691 
Log P 2.8771822  Molar Refractivity 50.5763 cm3
Polarizability 17.223694 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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