6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline

C16H14F3NO2 — CID 91102700

IUPAC6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)Oc1ccc(Oc2ccc3c(c2)CCNC3)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-14-5-3-13(4-6-14)21-15-2-1-12-10-20-8-7-11(12)9-15/h1-6,9,20H,7-8,10H2
InChIKeySDKFIUYXQAOVBA-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.02
Rot. Bonds3

About 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline

6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 91102700) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID91102700
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)Oc1ccc(Oc2ccc3c(c2)CCNC3)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-14-5-3-13(4-6-14)21-15-2-1-12-10-20-8-7-11(12)9-15/h1-6,9,20H,7-8,10H2
InChIKeySDKFIUYXQAOVBA-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 136576392
2-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11681177
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 23081381
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076292
6-(1,3-dimethylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076401
2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 150802088
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
1,2,3,4-tetrahydroisoquinolin-7-amine;3-(trifluoromethoxy)benzamide
CID 142270751
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
CID 114404657

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline (CID 91102700) is 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)Oc1ccc(Oc2ccc3c(c2)CCNC3)cc1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SDKFIUYXQAOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)22-14-5-3-13(4-6-14)21-15-2-1-12-10-20-8-7-11(12)9-15/h1-6,9,20H,7-8,10H2.
What are the key properties of 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline?
6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 309.29 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 91102700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).