8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

C9H9BrFN — CID 63272497

IUPAC8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc(Br)c2c1CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2
InChIKeyVVZOZQVEJFKOPE-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.23
Rot. Bonds

About 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline

8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63272497) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
PubChem CID63272497
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc(Br)c2c1CCNC2
InChIInChI=1S/C9H9BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2
InChIKeyVVZOZQVEJFKOPE-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
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
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
7-Bromo-3-difluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 11500379
7-Bromo-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 16216219

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline (CID 63272497) is 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline is Fc1ccc(Br)c2c1CCNC2.
What is the InChIKey of 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VVZOZQVEJFKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2.
What are the key properties of 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline?
8-bromo-5-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 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63272497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).