4,4-Difluoro-1-[5-chloro-2-thienyl]-butane-1,3-dione

HCID 18920366
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Basic information

CAS
179184-63-5
Standard SMILES
O=C(CC(=O)C(F)F)c1ccc(Cl)s1
InChIKey
FRXCZUMZEDYVKU-UHFFFAOYSA-N
Molecular formula
C8H5ClF2O2S
Average molar mass
238.64 g/mol
Monoisotopic mass
237.96668452

Names & identifiers

Preferred name
4,4-Difluoro-1-[5-chloro-2-thienyl]-butane-1,3-dione
IUPAC
1-(5-chlorothiophen-2-yl)-4,4-difluorobutane-1,3-dione

Names & synonyms

1-(5-chlorothiophen-2-yl)-4,4-difluorobutane-1,3-dione179184-63-54,4-difluoro-1-[5-chloro-2-thienyl]-butane-1,3-dioneSCHEMBL8635819DTXSID301222252EN300-11257091-(5-Chloro-2-thienyl)-4,4-difluoro-1,3-butanedione

Database identifiers

CAS
179184-63-5
PubChem CID
18920366
DTXSID
DTXSID301222252

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
62.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
14

Related reactions

6 records
New reaction record

Compound notes

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