1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-

C13H13FN2O — CID 3025607

IUPAC9-amino-6-fluoro-1,2,3,4-tetrahydroacridin-1-ol
SMILESC1CC(C2=C(C3=C(C=C(C=C3)F)N=C2C1)N)O
InChIInChI=1S/C13H13FN2O/c14-7-4-5-8-10(6-7)16-9-2-1-3-11(17)12(9)13(8)15/h4-6,11,17H,1-3H2,(H2,15,16)
InChIKeyGHPCZOLZFWUXCH-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.50
Rot. Bonds

About 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-

1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro- (PubChem CID 3025607) has the molecular formula C13H13FN2O and a molecular weight of 232.25 g/mol. Its IUPAC name is 9-amino-6-fluoro-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-
PubChem CID3025607
Molecular FormulaC13H13FN2O
Molecular Weight232.25 g/mol
Exact Mass232.10
IUPAC Name9-amino-6-fluoro-1,2,3,4-tetrahydroacridin-1-ol
SMILESC1CC(C2=C(C3=C(C=C(C=C3)F)N=C2C1)N)O
InChIInChI=1S/C13H13FN2O/c14-7-4-5-8-10(6-7)16-9-2-1-3-11(17)12(9)13(8)15/h4-6,11,17H,1-3H2,(H2,15,16)
InChIKeyGHPCZOLZFWUXCH-UHFFFAOYSA-N
XLogP1.50
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity289

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-?
The IUPAC name of 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro- (CID 3025607) is 9-amino-6-fluoro-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-?
The canonical SMILES for 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro- is C1CC(C2=C(C3=C(C=C(C=C3)F)N=C2C1)N)O.
What is the InChIKey of 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-?
The InChIKey is GHPCZOLZFWUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-7-4-5-8-10(6-7)16-9-2-1-3-11(17)12(9)13(8)15/h4-6,11,17H,1-3H2,(H2,15,16).
What are the key properties of 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-?
1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro- has a molecular weight of 232.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro- is sourced from PubChem (CID 3025607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).