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1060805-00-6 molecular structure
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2,2,2-trifluoro-1-(4-methylpyridin-2-yl)ethan-1-amine

ChemBase ID: 815078
Molecular Formular: C8H9F3N2
Molecular Mass: 190.1656696
Monoisotopic Mass: 190.07178296
SMILES and InChIs

SMILES:
C(C(F)(F)F)(N)c1nccc(c1)C
Canonical SMILES:
NC(C(F)(F)F)c1nccc(c1)C
InChI:
InChI=1S/C8H9F3N2/c1-5-2-3-13-6(4-5)7(12)8(9,10)11/h2-4,7H,12H2,1H3
InChIKey:
SSJHIJDXYWRSKH-UHFFFAOYSA-N

Cite this record

CBID:815078 http://www.chembase.cn/molecule-815078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,2-trifluoro-1-(4-methylpyridin-2-yl)ethan-1-amine
IUPAC Traditional name
2,2,2-trifluoro-1-(4-methylpyridin-2-yl)ethanamine
Synonyms
2,2,2-trifluoro-1-(4-methylpyridin-2-yl)ethanamine
CAS Number
1060805-00-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37331 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37331 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5828302  LogD (pH = 7.4) 1.6424693 
Log P 1.6432877  Molar Refractivity 42.0889 cm3
Polarizability 15.737254 Å3 Polar Surface Area 38.91 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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