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825-70-7 molecular structure
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5-fluoro-2-methyl-2,3-dihydro-1H-indole

ChemBase ID: 291951
Molecular Formular: C9H10FN
Molecular Mass: 151.1808032
Monoisotopic Mass: 151.07972755
SMILES and InChIs

SMILES:
CC1Nc2c(cc(F)cc2)C1
Canonical SMILES:
CC1Nc2c(C1)cc(cc2)F
InChI:
InChI=1S/C9H10FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3
InChIKey:
DATGDQQKEPRIPH-UHFFFAOYSA-N

Cite this record

CBID:291951 http://www.chembase.cn/molecule-291951.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-methyl-2,3-dihydro-1H-indole
IUPAC Traditional name
5-fluoro-2-methyl-2,3-dihydro-1H-indole
Synonyms
5-Fluoro-2-methylindoline
CAS Number
825-70-7
MDL Number
MFCD19300982
PubChem SID
180677482
PubChem CID
11228897

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD238027 Please log in.
Data Source Data ID
PubChem 11228897 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9892325  LogD (pH = 7.4) 2.044438 
Log P 2.0451894  Molar Refractivity 44.1966 cm3
Polarizability 15.839711 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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