6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine

C9H10F2N2 — CID 175870832

IUPAC6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESNC1CNCc2c(F)cc(F)cc21
InChIInChI=1S/C9H10F2N2/c10-5-1-6-7(8(11)2-5)3-13-4-9(6)12/h1-2,9,13H,3-4,12H2
InChIKeyBVTQCXJVRAOUAM-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.07
Rot. Bonds

About 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine

6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 175870832) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID175870832
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESNC1CNCc2c(F)cc(F)cc21
InChIInChI=1S/C9H10F2N2/c10-5-1-6-7(8(11)2-5)3-13-4-9(6)12/h1-2,9,13H,3-4,12H2
InChIKeyBVTQCXJVRAOUAM-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 175870832) is 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine is NC1CNCc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is BVTQCXJVRAOUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c10-5-1-6-7(8(11)2-5)3-13-4-9(6)12/h1-2,9,13H,3-4,12H2.
What are the key properties of 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine?
6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 184.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 175870832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).