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347-84-2 molecular structure
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1-(4-fluorophenyl)-2-phenylethan-1-one

ChemBase ID: 61428
Molecular Formular: C14H11FO
Molecular Mass: 214.2349432
Monoisotopic Mass: 214.07939319
SMILES and InChIs

SMILES:
C(=O)(Cc1ccccc1)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)C(=O)Cc1ccccc1
InChI:
InChI=1S/C14H11FO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey:
YFYKGCQUWKAFLW-UHFFFAOYSA-N

Cite this record

CBID:61428 http://www.chembase.cn/molecule-61428.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluorophenyl)-2-phenylethan-1-one
IUPAC Traditional name
1-(4-fluorophenyl)-2-phenylethanone
Synonyms
1-(4-fluorophenyl)-2-phenylethanone
1-(4-Fluorophenyl)-2-phenylethanone 99%
1-(4-Fluorophenyl)-2-phenyl-ethanone
CAS Number
347-84-2
MDL Number
MFCD00017960
PubChem SID
162027169
PubChem CID
318235

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.356042  H Acceptors
H Donor LogD (pH = 5.5) 3.507935 
LogD (pH = 7.4) 3.507935  Log P 3.507935 
Molar Refractivity 61.3991 cm3 Polarizability 23.301977 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
76-78°C expand Show data source
83-84°C expand Show data source
Storage Warning
IRRITANT expand Show data source
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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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