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

C9H9BrFN — CID 84693245

IUPAC6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc2c(cc1Br)CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChIKeyARASSUFLYYKDGN-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.23
Rot. Bonds

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

6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84693245) 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-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID84693245
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1cc2c(cc1Br)CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2
InChIKeyARASSUFLYYKDGN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 84693245) is 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1cc2c(cc1Br)CCNC2.
What is the InChIKey of 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ARASSUFLYYKDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-3-6-1-2-12-5-7(6)4-9(8)11/h3-4,12H,1-2,5H2.
What are the key properties of 6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline?
6-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.08 g/mol, XLogP of 2.23, 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-tetrahydroisoquinoline is sourced from PubChem (CID 84693245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).