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

C12H16FNO — CID 105463065

IUPAC7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1CNCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO/c1-15-5-4-9-7-14-8-10-6-11(13)2-3-12(9)10/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyFYCWTZXXWSTUDC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.05
Rot. Bonds3

About 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline

7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 105463065) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID105463065
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCC1CNCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO/c1-15-5-4-9-7-14-8-10-6-11(13)2-3-12(9)10/h2-3,6,9,14H,4-5,7-8H2,1H3
InChIKeyFYCWTZXXWSTUDC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline (CID 105463065) is 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is COCCC1CNCc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FYCWTZXXWSTUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-5-4-9-7-14-8-10-6-11(13)2-3-12(9)10/h2-3,6,9,14H,4-5,7-8H2,1H3.
What are the key properties of 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline?
7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 209.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 105463065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).