6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

C12H16FNO — CID 105463066

IUPAC6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1Cc2cc(F)ccc2CN1
InChIInChI=1S/C12H16FNO/c1-15-5-4-12-7-10-6-11(13)3-2-9(10)8-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyRIZIEHWPFVGEOY-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.88
Rot. Bonds3

About 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105463066) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID105463066
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1Cc2cc(F)ccc2CN1
InChIInChI=1S/C12H16FNO/c1-15-5-4-12-7-10-6-11(13)3-2-9(10)8-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3
InChIKeyRIZIEHWPFVGEOY-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (CID 105463066) is 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is COCCC1Cc2cc(F)ccc2CN1.
What is the InChIKey of 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RIZIEHWPFVGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-5-4-12-7-10-6-11(13)3-2-9(10)8-14-12/h2-3,6,12,14H,4-5,7-8H2,1H3.
What are the key properties of 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 209.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105463066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).