Home > Compound List > Compound details
1060815-28-2 molecular structure
click picture or here to close

2,2,2-trifluoro-1-(pyridin-4-yl)ethan-1-amine

ChemBase ID: 807566
Molecular Formular: C7H7F3N2
Molecular Mass: 176.1390896
Monoisotopic Mass: 176.05613289
SMILES and InChIs

SMILES:
C(C(F)(F)F)(N)c1ccncc1
Canonical SMILES:
NC(C(F)(F)F)c1ccncc1
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-1-3-12-4-2-5/h1-4,6H,11H2
InChIKey:
CWCZMOYKIBMJDB-UHFFFAOYSA-N

Cite this record

CBID:807566 http://www.chembase.cn/molecule-807566.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,2-trifluoro-1-(pyridin-4-yl)ethan-1-amine
IUPAC Traditional name
2,2,2-trifluoro-1-(pyridin-4-yl)ethanamine
Synonyms
2,2,2-TRIFLUORO-1-(PYRIDIN-4-YL)ETHANAMINE
CAS Number
1060815-28-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25605 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25605 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) 0.8316693  LogD (pH = 7.4) 0.8953336 
Log P 0.8962051  Molar Refractivity 37.4948 cm3
Polarizability 14.012294 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle