[4-(4-Chloro-phenyl)-pyrimidin-2-yl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine

HCID 19966997

Notes Reactions

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Basic information

Standard SMILES: FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3ccc(Cl)cc3)n2)c1
InChIKey: YWEZKJXXUFLVIU-UHFFFAOYSA-N
Molecular formula: C18H12ClF4N3O
Average molar mass: 397.8 g/mol

Names & identifiers

Preferred name: [4-(4-Chloro-phenyl)-pyrimidin-2-yl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
IUPAC: 4-(4-chlorophenyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine

Names & synonyms

CHEMBL57581[4-(4-Chloro-phenyl)-pyrimidin-2-yl]-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amineSCHEMBL8837820BDBM50290425N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-4-(4-chloro-phenyl)-2-pyrimidineamine

Database identifiers

PubChem CID: 19966997
ChEMBL: CHEMBL57581

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 47 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 466

Related reactions

1 records

New reaction record

HRID 976265As productuspto-grants-1997_03

Compound notes

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