4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

C10H12FN — CID 84717063

IUPAC4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)C(F)CNC2
InChIInChI=1S/C10H12FN/c1-7-2-3-8-5-12-6-10(11)9(8)4-7/h2-4,10,12H,5-6H2,1H3
InChIKeySAYRWMZDPRGTIC-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.11
Rot. Bonds

About 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline

4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84717063) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID84717063
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc2c(c1)C(F)CNC2
InChIInChI=1S/C10H12FN/c1-7-2-3-8-5-12-6-10(11)9(8)4-7/h2-4,10,12H,5-6H2,1H3
InChIKeySAYRWMZDPRGTIC-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline (CID 84717063) is 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc2c(c1)C(F)CNC2.
What is the InChIKey of 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SAYRWMZDPRGTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-2-3-8-5-12-6-10(11)9(8)4-7/h2-4,10,12H,5-6H2,1H3.
What are the key properties of 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline?
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 165.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84717063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).