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1060811-04-2 molecular structure
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{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}methanamine

ChemBase ID: 814844
Molecular Formular: C10H11F3N2
Molecular Mass: 216.2029496
Monoisotopic Mass: 216.08743302
SMILES and InChIs

SMILES:
C(N)C1(CC1)c1cnc(cc1)C(F)(F)F
Canonical SMILES:
NCC1(CC1)c1ccc(nc1)C(F)(F)F
InChI:
InChI=1S/C10H11F3N2/c11-10(12,13)8-2-1-7(5-15-8)9(6-14)3-4-9/h1-2,5H,3-4,6,14H2
InChIKey:
JAOFAAHRVHGPNW-UHFFFAOYSA-N

Cite this record

CBID:814844 http://www.chembase.cn/molecule-814844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}methanamine
IUPAC Traditional name
{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}methanamine
Synonyms
(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)methanamine
CAS Number
1060811-04-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37076 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37076 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) -1.2635146  LogD (pH = 7.4) -0.24253435 
Log P 1.7129496  Molar Refractivity 49.7987 cm3
Polarizability 18.641136 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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