2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H8F6N2O — CID 11243823

IUPAC2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c2cccnc12
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)10(21,12(16,17)18)7-3-4-8(19)9-6(7)2-1-5-20-9/h1-5,21H,19H2
InChIKeyCZOMNPYVLJJUID-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.13
Rot. Bonds1

About 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11243823) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11243823
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c2cccnc12
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)10(21,12(16,17)18)7-3-4-8(19)9-6(7)2-1-5-20-9/h1-5,21H,19H2
InChIKeyCZOMNPYVLJJUID-UHFFFAOYSA-N
XLogP3.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11243823) is 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c2cccnc12.
What is the InChIKey of 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CZOMNPYVLJJUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)10(21,12(16,17)18)7-3-4-8(19)9-6(7)2-1-5-20-9/h1-5,21H,19H2.
What are the key properties of 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 310.20 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11243823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).