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MFCD09040715 molecular structure
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1-(3-chlorophenyl)-2-fluoroethan-1-amine

ChemBase ID: 280119
Molecular Formular: C8H9ClFN
Molecular Mass: 173.6151632
Monoisotopic Mass: 173.04075519
SMILES and InChIs

SMILES:
c1(cc(Cl)ccc1)C(N)CF
Canonical SMILES:
FCC(c1cccc(c1)Cl)N
InChI:
InChI=1S/C8H9ClFN/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,5,11H2
InChIKey:
HMWKDSZQAOITIQ-UHFFFAOYSA-N

Cite this record

CBID:280119 http://www.chembase.cn/molecule-280119.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-chlorophenyl)-2-fluoroethan-1-amine
IUPAC Traditional name
1-(3-chlorophenyl)-2-fluoroethanamine
Synonyms
1-(3-chlorophenyl)-2-fluoroethanamine
MDL Number
MFCD09040715
PubChem SID
180665650
PubChem CID
16228761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87192 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6784994  LogD (pH = 7.4) 0.95513874 
Log P 1.9638158  Molar Refractivity 43.6066 cm3
Polarizability 17.101799 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)
1.839 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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