Home > Compound List > Compound details
952182-53-5 molecular structure
click picture or here to close

2-(trifluoromethyl)quinolin-6-amine

ChemBase ID: 97665
Molecular Formular: C10H7F3N2
Molecular Mass: 212.1711896
Monoisotopic Mass: 212.05613289
SMILES and InChIs

SMILES:
n1c(ccc2cc(ccc12)N)C(F)(F)F
Canonical SMILES:
Nc1ccc2c(c1)ccc(n2)C(F)(F)F
InChI:
InChI=1S/C10H7F3N2/c11-10(12,13)9-4-1-6-5-7(14)2-3-8(6)15-9/h1-5H,14H2
InChIKey:
DMOZVMKZTCUPQC-UHFFFAOYSA-N

Cite this record

CBID:97665 http://www.chembase.cn/molecule-97665.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trifluoromethyl)quinolin-6-amine
IUPAC Traditional name
2-(trifluoromethyl)quinolin-6-amine
Synonyms
2-(Trifluoromethyl)quinolin-6-amine
6-Amino-2-(trifluoromethyl)quinoline
CAS Number
952182-53-5
PubChem SID
162084250
PubChem CID
24271761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC48502 external link Add to cart Please log in.
Data Source Data ID
PubChem 24271761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5644011  LogD (pH = 7.4) 2.5656574 
Log P 2.5656734  Molar Refractivity 50.2814 cm3
Polarizability 19.086859 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Toxic/Harmful/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle