4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol

C9H10FNO — CID 84717188

IUPAC4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
SMILESOc1ccc2c(c1)C(F)CCN2
InChIInChI=1S/C9H10FNO/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4H2
InChIKeyKCBULCQZNDYSEN-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.22
Rot. Bonds

About 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol

4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol (PubChem CID 84717188) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol.

Molecular Properties

Compound Name4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
PubChem CID84717188
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
SMILESOc1ccc2c(c1)C(F)CCN2
InChIInChI=1S/C9H10FNO/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4H2
InChIKeyKCBULCQZNDYSEN-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol?
The IUPAC name of 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol (CID 84717188) is 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol.
What is the SMILES notation for 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol?
The canonical SMILES for 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol is Oc1ccc2c(c1)C(F)CCN2.
What is the InChIKey of 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol?
The InChIKey is KCBULCQZNDYSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-4-11-9-2-1-6(12)5-7(8)9/h1-2,5,8,11-12H,3-4H2.
What are the key properties of 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol?
4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol has a molecular weight of 167.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol is sourced from PubChem (CID 84717188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).