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681444-96-2 molecular structure
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5-(trifluoromethyl)thiophen-2-amine

ChemBase ID: 813130
Molecular Formular: C5H4F3NS
Molecular Mass: 167.1521696
Monoisotopic Mass: 167.00165479
SMILES and InChIs

SMILES:
s1c(ccc1C(F)(F)F)N
Canonical SMILES:
FC(c1ccc(s1)N)(F)F
InChI:
InChI=1S/C5H4F3NS/c6-5(7,8)3-1-2-4(9)10-3/h1-2H,9H2
InChIKey:
JUDFVTYLQYHGKG-UHFFFAOYSA-N

Cite this record

CBID:813130 http://www.chembase.cn/molecule-813130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(trifluoromethyl)thiophen-2-amine
IUPAC Traditional name
5-(trifluoromethyl)thiophen-2-amine
Synonyms
2-THIOPHENAMINE, 5-(TRIFLUOROMETHYL)-
CAS Number
681444-96-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34073 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34073 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) 2.1010456  LogD (pH = 7.4) 2.1010456 
Log P 2.1010456  Molar Refractivity 32.7819 cm3
Polarizability 11.585579 Å3 Polar Surface Area 26.02 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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