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

C10H12FNO — CID 146174151

IUPAC6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC1CNCc2cc(O)c(F)cc21
InChIInChI=1S/C10H12FNO/c1-6-4-12-5-7-2-10(13)9(11)3-8(6)7/h2-3,6,12-13H,4-5H2,1H3
InChIKeyAFFRHWOOZRPVLQ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.74
Rot. Bonds

About 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 146174151) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID146174151
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC1CNCc2cc(O)c(F)cc21
InChIInChI=1S/C10H12FNO/c1-6-4-12-5-7-2-10(13)9(11)3-8(6)7/h2-3,6,12-13H,4-5H2,1H3
InChIKeyAFFRHWOOZRPVLQ-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 146174151) is 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is CC1CNCc2cc(O)c(F)cc21.
What is the InChIKey of 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is AFFRHWOOZRPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-12-5-7-2-10(13)9(11)3-8(6)7/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol?
6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-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 6-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 146174151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).