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70028-85-2 molecular structure
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5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione

ChemBase ID: 249158
Molecular Formular: C15H10F2N2O2
Molecular Mass: 288.2489064
Monoisotopic Mass: 288.07103401
SMILES and InChIs

SMILES:
C1(=O)NC(=O)NC1(c1ccc(cc1)F)c1ccc(cc1)F
Canonical SMILES:
O=C1NC(=O)NC1(c1ccc(cc1)F)c1ccc(cc1)F
InChI:
InChI=1S/C15H10F2N2O2/c16-11-5-1-9(2-6-11)15(13(20)18-14(21)19-15)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)
InChIKey:
OQEQEUCZWDWVLA-UHFFFAOYSA-N

Cite this record

CBID:249158 http://www.chembase.cn/molecule-249158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
IUPAC Traditional name
5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
Synonyms
5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
CAS Number
70028-85-2
MDL Number
MFCD06655621
PubChem SID
164305068
PubChem CID
4962190

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-13042 external link Add to cart Please log in.
Data Source Data ID
PubChem 4962190 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.753626  H Acceptors
H Donor LogD (pH = 5.5) 2.433085 
LogD (pH = 7.4) 2.4147196  Log P 2.4333243 
Molar Refractivity 70.6151 cm3 Polarizability 26.56224 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
228 - 230°C expand Show data source
Hydrophobicity(logP)
2.371 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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