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

C9H9BrFN — CID 16791217

IUPAC6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2
InChIKeyRHPZZEKDQMMXIN-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.95
Rot. Bonds

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

6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 16791217) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID16791217
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2
InChIKeyRHPZZEKDQMMXIN-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline (CID 16791217) is 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline is Fc1cc(Br)cc2c1NCCC2.
What is the InChIKey of 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is RHPZZEKDQMMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2.
What are the key properties of 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline?
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.08 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).