5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline

C10H11F2N — CID 63667541

IUPAC5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(ccc(F)c2F)CN1
InChIInChI=1S/C10H11F2N/c1-6-4-8-7(5-13-6)2-3-9(11)10(8)12/h2-3,6,13H,4-5H2,1H3
InChIKeyAGUJSWLBNXLQDX-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.00
Rot. Bonds

About 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline

5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63667541) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID63667541
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1Cc2c(ccc(F)c2F)CN1
InChIInChI=1S/C10H11F2N/c1-6-4-8-7(5-13-6)2-3-9(11)10(8)12/h2-3,6,13H,4-5H2,1H3
InChIKeyAGUJSWLBNXLQDX-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 63667541) is 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline is CC1Cc2c(ccc(F)c2F)CN1.
What is the InChIKey of 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AGUJSWLBNXLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-4-8-7(5-13-6)2-3-9(11)10(8)12/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline?
5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 183.20 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63667541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).