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

C10H10BrF2N — CID 11500379

IUPAC7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1Cc2ccc(Br)cc2CN1
InChIInChI=1S/C10H10BrF2N/c11-8-2-1-6-4-9(10(12)13)14-5-7(6)3-8/h1-3,9-10,14H,4-5H2
InChIKeyARNKQLYWYANBBE-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.73
Rot. Bonds1

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

7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 11500379) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID11500379
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)C1Cc2ccc(Br)cc2CN1
InChIInChI=1S/C10H10BrF2N/c11-8-2-1-6-4-9(10(12)13)14-5-7(6)3-8/h1-3,9-10,14H,4-5H2
InChIKeyARNKQLYWYANBBE-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 11500379) is 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC(F)C1Cc2ccc(Br)cc2CN1.
What is the InChIKey of 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ARNKQLYWYANBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-2-1-6-4-9(10(12)13)14-5-7(6)3-8/h1-3,9-10,14H,4-5H2.
What are the key properties of 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 262.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(difluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 11500379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).