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

C9H9BrFN — CID 47003547

IUPAC6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3H2
InChIKeyLFAMFIYRRFZFHT-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.95
Rot. Bonds

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

6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 47003547) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID47003547
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc2c(cc1Br)CCCN2
InChIInChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3H2
InChIKeyLFAMFIYRRFZFHT-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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Related Compounds

5-Bromoindoline
CID 3411566
N-benzyl-4-bromoaniline
CID 961575
6-Bromo-1,2,3,4-tetrahydroquinoline
CID 4715029
6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 591684
4-Bromo-julolidine
CID 2757027
8-Fluoro-1,2,3,4-tetrahydroquinoline
CID 12647573
(2S)-6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 853158
(R)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 853159
6-Bromo-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10729464
5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046
6-Fluoro-1,2,3,4-tetrahydroquinoline
CID 14783911
4-Bromo-N,2-diethylaniline
CID 23053415

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline (CID 47003547) is 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline is Fc1cc2c(cc1Br)CCCN2.
What is the InChIKey of 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is LFAMFIYRRFZFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3H2.
What are the key properties of 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinoline?
6-bromo-7-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-7-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 47003547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).