7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

C9H11FN2 — CID 54594245

IUPAC7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2cc(F)ccc21
InChIInChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2
InChIKeyBDIIIYWBLXIJNO-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.64
Rot. Bonds

About 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine

7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 54594245) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID54594245
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1CCNc2cc(F)ccc21
InChIInChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2
InChIKeyBDIIIYWBLXIJNO-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine (CID 54594245) is 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine is NC1CCNc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is BDIIIYWBLXIJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8,12H,3-4,11H2.
What are the key properties of 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine?
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 166.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 54594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).