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MFCD16303588 molecular structure
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3-(2-fluorophenyl)pyrrolidine-2,5-dione

ChemBase ID: 270770
Molecular Formular: C10H8FNO2
Molecular Mass: 193.1744232
Monoisotopic Mass: 193.05390672
SMILES and InChIs

SMILES:
C1(=O)NC(=O)CC1c1c(F)cccc1
Canonical SMILES:
O=C1NC(=O)C(C1)c1ccccc1F
InChI:
InChI=1S/C10H8FNO2/c11-8-4-2-1-3-6(8)7-5-9(13)12-10(7)14/h1-4,7H,5H2,(H,12,13,14)
InChIKey:
PPSZALYDZSHGKC-UHFFFAOYSA-N

Cite this record

CBID:270770 http://www.chembase.cn/molecule-270770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-fluorophenyl)pyrrolidine-2,5-dione
IUPAC Traditional name
3-(2-fluorophenyl)pyrrolidine-2,5-dione
Synonyms
3-(2-fluorophenyl)pyrrolidine-2,5-dione
MDL Number
MFCD16303588
PubChem SID
164326680
PubChem CID
50989418

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69863 external link Add to cart Please log in.
Data Source Data ID
PubChem 50989418 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.559418  H Acceptors
H Donor LogD (pH = 5.5) 0.82598317 
LogD (pH = 7.4) 0.8230567  Log P 0.8260206 
Molar Refractivity 47.1673 cm3 Polarizability 17.983694 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
97 - 99°C expand Show data source
Hydrophobicity(logP)
0.529 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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