Ethyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate

HCID 20161292

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Basic information

CAS: 105614-27-5
Standard SMILES: CCOC(=O)c1cn(C2CC2(F)F)c2c(F)c(F)c(F)cc2c1=O
InChIKey: NNAUZLOJGQZHPU-UHFFFAOYSA-N
Molecular formula: C15H10F5NO3
Average molar mass: 347.24 g/mol
Monoisotopic mass: 347.05808399

Names & identifiers

Preferred name: Ethyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
IUPAC: ethyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate

Names & synonyms

SCHEMBL10747997NNAUZLOJGQZHPU-UHFFFAOYSA-NDTXSID901121789ethyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate105614-27-5Ethyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylateEthyl 1-(2,2-difluorocyclopropyl)-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Database identifiers

CAS: 105614-27-5
PubChem CID: 20161292
DTXSID: DTXSID901121789

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 596

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