8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline

C9H8BrClFN — CID 171787777

IUPAC8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Cl)cc2c(c1Br)NCCC2
InChIInChI=1S/C9H8BrClFN/c10-7-8(12)6(11)4-5-2-1-3-13-9(5)7/h4,13H,1-3H2
InChIKeyBIFOFSPMAUUXGI-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.60
Rot. Bonds

About 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline

8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 171787777) has the molecular formula C9H8BrClFN and a molecular weight of 264.52 g/mol. Its IUPAC name is 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID171787777
Molecular FormulaC9H8BrClFN
Molecular Weight264.52 g/mol
Exact Mass262.95
IUPAC Name8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1c(Cl)cc2c(c1Br)NCCC2
InChIInChI=1S/C9H8BrClFN/c10-7-8(12)6(11)4-5-2-1-3-13-9(5)7/h4,13H,1-3H2
InChIKeyBIFOFSPMAUUXGI-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline (CID 171787777) is 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline is Fc1c(Cl)cc2c(c1Br)NCCC2.
What is the InChIKey of 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is BIFOFSPMAUUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c10-7-8(12)6(11)4-5-2-1-3-13-9(5)7/h4,13H,1-3H2.
What are the key properties of 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline?
8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 264.52 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-7-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 171787777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).