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131472-28-1 molecular structure
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4-(trifluoromethyl)benzene-1-carboximidamide

ChemBase ID: 812389
Molecular Formular: C8H7F3N2
Molecular Mass: 188.1497896
Monoisotopic Mass: 188.05613289
SMILES and InChIs

SMILES:
c1(ccc(cc1)C(F)(F)F)C(=N)N
Canonical SMILES:
NC(=N)c1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
InChIKey:
XFLGYXVBXUAGQV-UHFFFAOYSA-N

Cite this record

CBID:812389 http://www.chembase.cn/molecule-812389.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(trifluoromethyl)benzene-1-carboximidamide
IUPAC Traditional name
4-(trifluoromethyl)benzenecarboximidamide
Synonyms
4-TRIFLUOROMETHYL-BENZAMIDINE
CAS Number
131472-28-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32426 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32426 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) -0.6437505  LogD (pH = 7.4) -0.63248485 
Log P 1.7715628  Molar Refractivity 53.7042 cm3
Polarizability 15.206565 Å3 Polar Surface Area 49.87 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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