6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C12H16ClF2NO2 — CID 162309445

IUPAC6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1c(OCC(F)F)ccc2c1CCNC2.Cl
InChIInChI=1S/C12H15F2NO2.ClH/c1-16-12-9-4-5-15-6-8(9)2-3-10(12)17-7-11(13)14;/h2-3,11,15H,4-7H2,1H3;1H
InChIKeySDEWECQRDHGTTN-UHFFFAOYSA-N
MW279.71 g/mol
LogP2.41
Rot. Bonds4

About 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 162309445) has the molecular formula C12H16ClF2NO2 and a molecular weight of 279.71 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID162309445
Molecular FormulaC12H16ClF2NO2
Molecular Weight279.71 g/mol
Exact Mass279.08
IUPAC Name6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1c(OCC(F)F)ccc2c1CCNC2.Cl
InChIInChI=1S/C12H15F2NO2.ClH/c1-16-12-9-4-5-15-6-8(9)2-3-10(12)17-7-11(13)14;/h2-3,11,15H,4-7H2,1H3;1H
InChIKeySDEWECQRDHGTTN-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162334890
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 118940185
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 84656591
4-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115075898
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146585921
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 162309445) is 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is COc1c(OCC(F)F)ccc2c1CCNC2.Cl.
What is the InChIKey of 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is SDEWECQRDHGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2.ClH/c1-16-12-9-4-5-15-6-8(9)2-3-10(12)17-7-11(13)14;/h2-3,11,15H,4-7H2,1H3;1H.
What are the key properties of 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 279.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 162309445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).