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1060810-96-9 molecular structure
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1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine

ChemBase ID: 814838
Molecular Formular: C9H9F3N2
Molecular Mass: 202.1763696
Monoisotopic Mass: 202.07178296
SMILES and InChIs

SMILES:
C1(CC1)(N)c1nc(ccc1)C(F)(F)F
Canonical SMILES:
FC(c1cccc(n1)C1(N)CC1)(F)F
InChI:
InChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-2-6(14-7)8(13)4-5-8/h1-3H,4-5,13H2
InChIKey:
QAFABCRJBVXFFJ-UHFFFAOYSA-N

Cite this record

CBID:814838 http://www.chembase.cn/molecule-814838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
IUPAC Traditional name
1-[6-(trifluoromethyl)pyridin-2-yl]cyclopropan-1-amine
Synonyms
1-(6-(trifluoromethyl)pyridin-2-yl)cyclopropanamine
CAS Number
1060810-96-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37070 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37070 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) -0.8476061  LogD (pH = 7.4) 0.69343346 
Log P 1.9202242  Molar Refractivity 44.705 cm3
Polarizability 16.906706 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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