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949507-76-0 molecular structure
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2-methyl-6-(trifluoromethyl)quinolin-4-ol

ChemBase ID: 816060
Molecular Formular: C11H8F3NO
Molecular Mass: 227.1825296
Monoisotopic Mass: 227.05579854
SMILES and InChIs

SMILES:
c1cc2c(cc1C(F)(F)F)c(cc(n2)C)O
Canonical SMILES:
Cc1cc(O)c2c(n1)ccc(c2)C(F)(F)F
InChI:
InChI=1S/C11H8F3NO/c1-6-4-10(16)8-5-7(11(12,13)14)2-3-9(8)15-6/h2-5H,1H3,(H,15,16)
InChIKey:
JIIFTTKKMVJRLB-UHFFFAOYSA-N

Cite this record

CBID:816060 http://www.chembase.cn/molecule-816060.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-6-(trifluoromethyl)quinolin-4-ol
IUPAC Traditional name
2-methyl-6-(trifluoromethyl)quinolin-4-ol
Synonyms
2-METHYL-6-TRIFLUOROMETHYL-4-QUINOLINOL
CAS Number
949507-76-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39681 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39681 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.63939  H Acceptors
H Donor LogD (pH = 5.5) 2.834881 
LogD (pH = 7.4) 2.8362858  Log P 2.8365538 
Molar Refractivity 52.5254 cm3 Polarizability 20.336025 Å3
Polar Surface Area 33.12 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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