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

C10H12FN — CID 10678618

IUPAC(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H12FN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKeySLBKHMRNZGCZIO-SNVBAGLBSA-N
MW165.21 g/mol
LogP1.67
Rot. Bonds1

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

(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10678618) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID10678618
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESFC[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C10H12FN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKeySLBKHMRNZGCZIO-SNVBAGLBSA-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 (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline (CID 10678618) is (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is FC[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SLBKHMRNZGCZIO-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline?
(3R)-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 (3R)-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10678618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).