8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine

C9H11FN2 — CID 89209371

IUPAC8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine
SMILESNC1=CC2=C(N=CCC2)C(F)C1
InChIInChI=1S/C9H11FN2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h3-4,8H,1-2,5,11H2
InChIKeyATHATUFJFCAYKM-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.69
Rot. Bonds

About 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine

8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine (PubChem CID 89209371) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine.

Molecular Properties

Compound Name8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine
PubChem CID89209371
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine
SMILESNC1=CC2=C(N=CCC2)C(F)C1
InChIInChI=1S/C9H11FN2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h3-4,8H,1-2,5,11H2
InChIKeyATHATUFJFCAYKM-UHFFFAOYSA-N
XLogP1.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine?
The IUPAC name of 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine (CID 89209371) is 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine.
What is the SMILES notation for 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine?
The canonical SMILES for 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine is NC1=CC2=C(N=CCC2)C(F)C1.
What is the InChIKey of 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine?
The InChIKey is ATHATUFJFCAYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h3-4,8H,1-2,5,11H2.
What are the key properties of 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine?
8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine has a molecular weight of 166.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4,7,8-tetrahydroquinolin-6-amine is sourced from PubChem (CID 89209371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).