3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol

C12H10F3NO — CID 62813667

IUPAC3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1cccc2cnccc12
InChIInChI=1S/C12H10F3NO/c13-12(14,15)6-11(17)10-3-1-2-8-7-16-5-4-9(8)10/h1-5,7,11,17H,6H2
InChIKeyZAVCIYZQSKFXHU-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.22
Rot. Bonds2

About 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol

3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol (PubChem CID 62813667) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
PubChem CID62813667
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
SMILESOC(CC(F)(F)F)c1cccc2cnccc12
InChIInChI=1S/C12H10F3NO/c13-12(14,15)6-11(17)10-3-1-2-8-7-16-5-4-9(8)10/h1-5,7,11,17H,6H2
InChIKeyZAVCIYZQSKFXHU-UHFFFAOYSA-N
XLogP3.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-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

2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
1-isoquinolin-5-yl-3-sulfanylpropane-1,2-diol
CID 170820096
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
4-bromo-1-isoquinolin-5-ylbutane-1,2-diol
CID 171892229
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
CID 105094616
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol (CID 62813667) is 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol is OC(CC(F)(F)F)c1cccc2cnccc12.
What is the InChIKey of 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol?
The InChIKey is ZAVCIYZQSKFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)6-11(17)10-3-1-2-8-7-16-5-4-9(8)10/h1-5,7,11,17H,6H2.
What are the key properties of 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol?
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol has a molecular weight of 241.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol is sourced from PubChem (CID 62813667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).