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1027511-38-1 molecular structure
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5,7-bis(trifluoromethyl)imidazo[1,2-a]pyrimidine

ChemBase ID: 97677
Molecular Formular: C8H3F6N3
Molecular Mass: 255.1199392
Monoisotopic Mass: 255.02311643
SMILES and InChIs

SMILES:
n1c(C(F)(F)F)cc(n2c1ncc2)C(F)(F)F
Canonical SMILES:
FC(c1nc2nccn2c(c1)C(F)(F)F)(F)F
InChI:
InChI=1S/C8H3F6N3/c9-7(10,11)4-3-5(8(12,13)14)17-2-1-15-6(17)16-4/h1-3H
InChIKey:
VMWWNZXOUYSVDH-UHFFFAOYSA-N

Cite this record

CBID:97677 http://www.chembase.cn/molecule-97677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-bis(trifluoromethyl)imidazo[1,2-a]pyrimidine
IUPAC Traditional name
5,7-bis(trifluoromethyl)imidazo[1,2-a]pyrimidine
Synonyms
5,7-Bis(trifluoromethyl)imidazo[1,2-a]pyrimidine
CAS Number
1027511-38-1
PubChem SID
162084262
PubChem CID
45073323

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC48516 external link Add to cart Please log in.
Data Source Data ID
PubChem 45073323 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8665183  LogD (pH = 7.4) 1.868814 
Log P 1.8688433  Molar Refractivity 46.2425 cm3
Polarizability 15.529512 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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