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MFCD09040709 molecular structure
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2-fluoro-1-(4-fluorophenyl)ethan-1-amine

ChemBase ID: 280113
Molecular Formular: C8H9F2N
Molecular Mass: 157.1605664
Monoisotopic Mass: 157.07030573
SMILES and InChIs

SMILES:
c1(ccc(cc1)F)C(N)CF
Canonical SMILES:
FCC(c1ccc(cc1)F)N
InChI:
InChI=1S/C8H9F2N/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8H,5,11H2
InChIKey:
YOYLKDHQGZBJMV-UHFFFAOYSA-N

Cite this record

CBID:280113 http://www.chembase.cn/molecule-280113.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-1-(4-fluorophenyl)ethan-1-amine
IUPAC Traditional name
2-fluoro-1-(4-fluorophenyl)ethanamine
Synonyms
2-fluoro-1-(4-fluorophenyl)ethanamine
MDL Number
MFCD09040709
PubChem SID
180665644
PubChem CID
16228755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87185 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1681323  LogD (pH = 7.4) 0.44989008 
Log P 1.502473  Molar Refractivity 39.0182 cm3
Polarizability 14.922532 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.269 expand Show data source
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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