7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol

C10H10F3NO — CID 58629584

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cc(C(F)(F)F)cc2c1CCNC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(15)4-7/h3-4,14-15H,1-2,5H2
InChIKeyJFXGANCSPWEDRH-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.06
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol (PubChem CID 58629584) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
PubChem CID58629584
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
SMILESOc1cc(C(F)(F)F)cc2c1CCNC2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(15)4-7/h3-4,14-15H,1-2,5H2
InChIKeyJFXGANCSPWEDRH-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol (CID 58629584) is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol is Oc1cc(C(F)(F)F)cc2c1CCNC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
The InChIKey is JFXGANCSPWEDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(15)4-7/h3-4,14-15H,1-2,5H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol?
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol has a molecular weight of 217.19 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol is sourced from PubChem (CID 58629584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).