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503173-14-6 molecular structure
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2,2,2-trifluoro-1-(pyridin-2-yl)ethan-1-amine

ChemBase ID: 310372
Molecular Formular: C7H7F3N2
Molecular Mass: 176.1390896
Monoisotopic Mass: 176.05613289
SMILES and InChIs

SMILES:
C(C(c1ncccc1)N)(F)(F)F
Canonical SMILES:
NC(C(F)(F)F)c1ccccn1
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2
InChIKey:
SYBAWUSIVYUZIZ-UHFFFAOYSA-N

Cite this record

CBID:310372 http://www.chembase.cn/molecule-310372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,2-trifluoro-1-(pyridin-2-yl)ethan-1-amine
IUPAC Traditional name
2,2,2-trifluoro-1-(pyridin-2-yl)ethanamine
Synonyms
2,2,2-trifluoro-1-(pyridin-2-yl)ethanamine
(2,2,2-trifluoro-1-pyridin-2-ylethyl)amine
CAS Number
503173-14-6
MDL Number
MFCD05864540

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1072259  LogD (pH = 7.4) 1.1295737 
Log P 1.1298662  Molar Refractivity 37.0477 cm3
Polarizability 14.013559 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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