7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H11BrFN — CID 10514405

IUPAC7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFCC1Cc2ccc(Br)cc2CN1
InChIInChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(5-12)13-6-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyKJOCLAIPXOCSLQ-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.43
Rot. Bonds1

About 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline

7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10514405) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID10514405
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFCC1Cc2ccc(Br)cc2CN1
InChIInChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(5-12)13-6-8(7)3-9/h1-3,10,13H,4-6H2
InChIKeyKJOCLAIPXOCSLQ-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 10514405) is 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FCC1Cc2ccc(Br)cc2CN1.
What is the InChIKey of 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KJOCLAIPXOCSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-9-2-1-7-4-10(5-12)13-6-8(7)3-9/h1-3,10,13H,4-6H2.
What are the key properties of 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 244.11 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10514405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).