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1260683-15-5 molecular structure
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5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline hydrochloride

ChemBase ID: 70708
Molecular Formular: C10H11ClF3N
Molecular Mass: 237.6492496
Monoisotopic Mass: 237.0532117
SMILES and InChIs

SMILES:
N1CCCc2c(cccc12)C(F)(F)F.Cl
Canonical SMILES:
FC(c1cccc2c1CCCN2)(F)F.Cl
InChI:
InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9;/h1,4-5,14H,2-3,6H2;1H
InChIKey:
ZMLUGKOFBXISKQ-UHFFFAOYSA-N

Cite this record

CBID:70708 http://www.chembase.cn/molecule-70708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline hydrochloride
IUPAC Traditional name
5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline hydrochloride
Synonyms
5-Trifluoromethyl-1,2,3,4-tetrahydroquinoline hydrochloride
5-(TrifluoroMethyl)-1,2,3,4-tetrahydroquinoline hydrochloride
CAS Number
1260683-15-5
MDL Number
MFCD09026778
PubChem SID
162036421
PubChem CID
56965770

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7652717  LogD (pH = 7.4) 2.80776 
Log P 2.8083296  Molar Refractivity 50.1361 cm3
Polarizability 17.294422 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
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
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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