4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol

C9H9F2NO — CID 84718894

IUPAC4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
SMILESOc1cccc2c1CNCC2(F)F
InChIInChI=1S/C9H9F2NO/c10-9(11)5-12-4-6-7(9)2-1-3-8(6)13/h1-3,12-13H,4-5H2
InChIKeyCAUTWGXOKKCTIS-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.59
Rot. Bonds

About 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol

4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol (PubChem CID 84718894) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol.

Molecular Properties

Compound Name4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
PubChem CID84718894
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol
SMILESOc1cccc2c1CNCC2(F)F
InChIInChI=1S/C9H9F2NO/c10-9(11)5-12-4-6-7(9)2-1-3-8(6)13/h1-3,12-13H,4-5H2
InChIKeyCAUTWGXOKKCTIS-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-4-methyl-2,3-dihydro-1H-isoquinolin-8-ol
CID 84718477
5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
CID 84720485
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
CID 84721787
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
CID 84721061
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
2,3,4,5-tetrahydro-1,4-benzoxazepin-6-ol
CID 83826793
4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
CID 84721057
4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438006
1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-6-ol
CID 115015229
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol?
The IUPAC name of 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol (CID 84718894) is 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol.
What is the SMILES notation for 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol?
The canonical SMILES for 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol is Oc1cccc2c1CNCC2(F)F.
What is the InChIKey of 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol?
The InChIKey is CAUTWGXOKKCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11)5-12-4-6-7(9)2-1-3-8(6)13/h1-3,12-13H,4-5H2.
What are the key properties of 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol?
4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol has a molecular weight of 185.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3-dihydro-1H-isoquinolin-8-ol is sourced from PubChem (CID 84718894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).