3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline

C10H12FN — CID 10654599

IUPAC3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFCC1Cc2ccccc2CN1
InChIInChI=1S/C10H12FN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2
InChIKeySLBKHMRNZGCZIO-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.67
Rot. Bonds1

About 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline

3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10654599) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID10654599
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFCC1Cc2ccccc2CN1
InChIInChI=1S/C10H12FN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2
InChIKeySLBKHMRNZGCZIO-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 10654599) is 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FCC1Cc2ccccc2CN1.
What is the InChIKey of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SLBKHMRNZGCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2.
What are the key properties of 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 165.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10654599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).