1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline

C11H13F2NO — CID 84723493

IUPAC1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CCNC2C(F)F
InChIInChI=1S/C11H13F2NO/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-4,10-11,14H,5-6H2,1H3
InChIKeyRNGYOMNWCOYDTB-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.15
Rot. Bonds2

About 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline

1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 84723493) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID84723493
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CCNC2C(F)F
InChIInChI=1S/C11H13F2NO/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-4,10-11,14H,5-6H2,1H3
InChIKeyRNGYOMNWCOYDTB-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779765
5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781714
1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777920
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
1-(3-chloro-1-benzothiophen-2-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 71115940
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105481651
5-methoxy-1-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054750
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
CID 84668692
5-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058079
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 84723493) is 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1CCNC2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RNGYOMNWCOYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-9-4-2-3-8-7(9)5-6-14-10(8)11(12)13/h2-4,10-11,14H,5-6H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 213.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 84723493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).