Home > Compound List > Compound details
80143-73-3 molecular structure
click picture or here to close

4-fluoro-N-[(4-fluorophenyl)methyl]aniline

ChemBase ID: 113050
Molecular Formular: C13H11F2N
Molecular Mass: 219.2299464
Monoisotopic Mass: 219.0859558
SMILES and InChIs

SMILES:
N(c1ccc(F)cc1)Cc1ccc(F)cc1
Canonical SMILES:
Fc1ccc(cc1)NCc1ccc(cc1)F
InChI:
InChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKey:
OQVIJNAAQBTAAY-UHFFFAOYSA-N

Cite this record

CBID:113050 http://www.chembase.cn/molecule-113050.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
IUPAC Traditional name
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
Synonyms
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CAS Number
80143-73-3
PubChem SID
162098018
PubChem CID
1133337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Key Organics
SS-4358 external link Add to cart Please log in.
Data Source Data ID
PubChem 1133337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4423707  LogD (pH = 7.4) 3.455728 
Log P 3.455901  Molar Refractivity 61.2972 cm3
Polarizability 22.217667 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
>97% 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