6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol

C10H10F3NO — CID 23160669

IUPAC6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESOC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-2,5,9,14-15H,3-4H2
InChIKeyXGJYBPDSIHVMDD-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.55
Rot. Bonds

About 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol

6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 23160669) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID23160669
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESOC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H10F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-2,5,9,14-15H,3-4H2
InChIKeyXGJYBPDSIHVMDD-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol (CID 23160669) is 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol is OC1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is XGJYBPDSIHVMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-2,5,9,14-15H,3-4H2.
What are the key properties of 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol?
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 217.19 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 23160669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).