5-(2-Fluorophenyl)cyclohexane-1,3-dione

HCID 13644841
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Basic information

CAS
102821-72-7
Standard SMILES
O=C1CC(=O)CC(c2ccccc2F)C1
InChIKey
RMEWCTHODLROAM-UHFFFAOYSA-N
Molecular formula
C12H11FO2
Average molar mass
206.21 g/mol
Monoisotopic mass
206.07430781

Names & identifiers

Preferred name
5-(2-Fluorophenyl)cyclohexane-1,3-dione
IUPAC
5-(2-fluorophenyl)cyclohexane-1,3-dione
English name
5-(2-Fluoro-phenyl)-cyclohexane-1,3-dione
Molecular formula
C12H11FO2
Molecular weight
206.21

Names & synonyms

5-(2-Fluorophenyl)cyclohexane-1,3-dione102821-72-71,3-Cyclohexanedione,5-(2-fluorophenyl)-5-(2-FLUORO-PHENYL)-CYCLOHEXANE-1,3-DIONE5-(2-fluorophenyl)-cyclohexane-1,3-dioneSCHEMBL1780877CHEMBL1939002DTXSID30545777RMEWCTHODLROAM-UHFFFAOYSA-NMFCD03844401SBB054156AKOS016003343
Show more names
1,3-Cyclohexanedione, 5-(2-fluorophenyl)-
5-(2-fluorophenyl)-1,3-CyclohexanedioneDB-058865

Database identifiers

CAS
102821-72-7
PubChem CID
13644841
DTXSID
DTXSID30545777
ChEMBL
CHEMBL1939002

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers3 total

Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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