5,6-Difluoroquinoline

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Basic information

CAS: 225366-91-6
Standard SMILES: Fc1ccc2ncccc2c1F
InChIKey: NKWCTWMIROYAIF-UHFFFAOYSA-N
Molecular formula: C9H5F2N
Average molar mass: 165.14 g/mol
Monoisotopic mass: 165.03900549

Names & identifiers

Preferred name: 5,6-Difluoroquinoline
IUPAC: 5,6-difluoroquinoline

Names & synonyms

5,6-DifluoroquinolineQuinoline, 5,6-difluoro-225366-91-6CCRIS 8760Difluoroquinoline, 5,6-85UA9FM4D8SCHEMBL4054902SCHEMBL20772063SCHEMBL30387307DTXSID10177055

Database identifiers

CAS: 225366-91-6
PubChem CID: 3025971
DTXSID: DTXSID10177055
UNII: 85UA9FM4D8
Nikkaji: J1.068.585K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

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Compound notes

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