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1150164-86-5 molecular structure
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4,7-dichloro-8-fluoro-2-(trifluoromethyl)quinoline

ChemBase ID: 291414
Molecular Formular: C10H3Cl2F4N
Molecular Mass: 284.0371328
Monoisotopic Mass: 282.95786734
SMILES and InChIs

SMILES:
FC(c1nc2c(F)c(Cl)ccc2c(Cl)c1)(F)F
Canonical SMILES:
Clc1ccc2c(c1F)nc(cc2Cl)C(F)(F)F
InChI:
InChI=1S/C10H3Cl2F4N/c11-5-2-1-4-6(12)3-7(10(14,15)16)17-9(4)8(5)13/h1-3H
InChIKey:
IIUHKGPQNHZIJS-UHFFFAOYSA-N

Cite this record

CBID:291414 http://www.chembase.cn/molecule-291414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,7-dichloro-8-fluoro-2-(trifluoromethyl)quinoline
IUPAC Traditional name
4,7-dichloro-8-fluoro-2-(trifluoromethyl)quinoline
Synonyms
4,7-Dichloro-8-fluoro-2-(trifluoromethyl)quinoline
CAS Number
1150164-86-5
MDL Number
MFCD12026031
PubChem SID
180676945
PubChem CID
43668401

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231301 Please log in.
Data Source Data ID
PubChem 43668401 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7453904  LogD (pH = 7.4) 4.7453904 
Log P 4.7453904  Molar Refractivity 55.407 cm3
Polarizability 21.761026 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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