4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol

C13H12F3NO — CID 64566958

IUPAC4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)6-5-12(18)10-3-4-11-9(8-10)2-1-7-17-11/h1-4,7-8,12,18H,5-6H2
InChIKeyDURLUMLBEBQARU-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.61
Rot. Bonds3

About 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol

4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol (PubChem CID 64566958) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
PubChem CID64566958
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)6-5-12(18)10-3-4-11-9(8-10)2-1-7-17-11/h1-4,7-8,12,18H,5-6H2
InChIKeyDURLUMLBEBQARU-UHFFFAOYSA-N
XLogP3.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 144811689
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol (CID 64566958) is 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol is OC(CCC(F)(F)F)c1ccc2ncccc2c1.
What is the InChIKey of 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol?
The InChIKey is DURLUMLBEBQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)6-5-12(18)10-3-4-11-9(8-10)2-1-7-17-11/h1-4,7-8,12,18H,5-6H2.
What are the key properties of 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol?
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol has a molecular weight of 255.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol is sourced from PubChem (CID 64566958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).