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380566-25-6 molecular structure
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5-(2-fluorophenyl)furan-2-carbaldehyde

ChemBase ID: 16822
Molecular Formular: C11H7FO2
Molecular Mass: 190.1704832
Monoisotopic Mass: 190.04300768
SMILES and InChIs

SMILES:
c1(c2c(cccc2)F)oc(cc1)C=O
Canonical SMILES:
O=Cc1ccc(o1)c1ccccc1F
InChI:
InChI=1S/C11H7FO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
InChIKey:
KGGOAPVMWNGAQS-UHFFFAOYSA-N

Cite this record

CBID:16822 http://www.chembase.cn/molecule-16822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-fluorophenyl)furan-2-carbaldehyde
IUPAC Traditional name
5-(2-fluorophenyl)furan-2-carbaldehyde
Synonyms
5-(2-fluorophenyl)furan-2-carbaldehyde
5-(2-Fluoro-phenyl)-furan-2-carbaldehyde
5-(2-fluorophenyl)-2-furaldehyde
CAS Number
380566-25-6
MDL Number
MFCD02615123
PubChem SID
160980129
PubChem CID
960559

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4559233  LogD (pH = 7.4) 2.4559233 
Log P 2.4559233  Molar Refractivity 50.263 cm3
Polarizability 19.702509 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66 - 68°C expand Show data source
Hydrophobicity(logP)
2.937 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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