6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline

C11H12FNO — CID 141220938

IUPAC6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCC1=NCCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-14-7-11-10-3-2-9(12)6-8(10)4-5-13-11/h2-3,6H,4-5,7H2,1H3
InChIKeyGGNAQUQZUKSBEO-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.82
Rot. Bonds2

About 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline

6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline (PubChem CID 141220938) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline
PubChem CID141220938
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline
SMILESCOCC1=NCCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-14-7-11-10-3-2-9(12)6-8(10)4-5-13-11/h2-3,6H,4-5,7H2,1H3
InChIKeyGGNAQUQZUKSBEO-UHFFFAOYSA-N
XLogP1.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline (CID 141220938) is 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline is COCC1=NCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline?
The InChIKey is GGNAQUQZUKSBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-14-7-11-10-3-2-9(12)6-8(10)4-5-13-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline?
6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline has a molecular weight of 193.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(methoxymethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 141220938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).