6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline

C15H11BrF3N — CID 132589821

IUPAC6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(C2CCc3c(F)c(Br)cc(F)c3N2)c1
InChIInChI=1S/C15H11BrF3N/c16-11-7-12(18)15-10(14(11)19)4-5-13(20-15)8-2-1-3-9(17)6-8/h1-3,6-7,13,20H,4-5H2
InChIKeyWNOLRXPCNJYCCF-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.97
Rot. Bonds1

About 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline

6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589821) has the molecular formula C15H11BrF3N and a molecular weight of 342.16 g/mol. Its IUPAC name is 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589821
Molecular FormulaC15H11BrF3N
Molecular Weight342.16 g/mol
Exact Mass341.00
IUPAC Name6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESFc1cccc(C2CCc3c(F)c(Br)cc(F)c3N2)c1
InChIInChI=1S/C15H11BrF3N/c16-11-7-12(18)15-10(14(11)19)4-5-13(20-15)8-2-1-3-9(17)6-8/h1-3,6-7,13,20H,4-5H2
InChIKeyWNOLRXPCNJYCCF-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline (CID 132589821) is 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline is Fc1cccc(C2CCc3c(F)c(Br)cc(F)c3N2)c1.
What is the InChIKey of 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WNOLRXPCNJYCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N/c16-11-7-12(18)15-10(14(11)19)4-5-13(20-15)8-2-1-3-9(17)6-8/h1-3,6-7,13,20H,4-5H2.
What are the key properties of 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline?
6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 342.16 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,8-difluoro-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).