7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C10H12FNO — CID 84657899

IUPAC7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCC1NCCc2ccc(F)c(O)c21
InChIInChI=1S/C10H12FNO/c1-6-9-7(4-5-12-6)2-3-8(11)10(9)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyUCPQRWCKSOBFAT-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.74
Rot. Bonds

About 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 84657899) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID84657899
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESCC1NCCc2ccc(F)c(O)c21
InChIInChI=1S/C10H12FNO/c1-6-9-7(4-5-12-6)2-3-8(11)10(9)13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyUCPQRWCKSOBFAT-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-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

(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
7-chloro-8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83370908
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
8-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 63272678
7-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84702416
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 84656928
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 82391673
methyl 8-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate;hydrochloride
CID 170918020
3-fluoro-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 67192971
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 84657899) is 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is CC1NCCc2ccc(F)c(O)c21.
What is the InChIKey of 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is UCPQRWCKSOBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-9-7(4-5-12-6)2-3-8(11)10(9)13/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 181.21 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 84657899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).