1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol

C12H13F3N2O2 — CID 77033652

IUPAC1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(18)7-17-6-5-9(16-19)8-3-1-2-4-10(8)17/h1-4,11,18-19H,5-7H2
InChIKeyRITBMGUHRQVORG-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.00
Rot. Bonds2

About 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol

1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol (PubChem CID 77033652) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol
PubChem CID77033652
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol
SMILESON=C1CCN(CC(O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)11(18)7-17-6-5-9(16-19)8-3-1-2-4-10(8)17/h1-4,11,18-19H,5-7H2
InChIKeyRITBMGUHRQVORG-UHFFFAOYSA-N
XLogP2.00
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol (CID 77033652) is 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol is ON=C1CCN(CC(O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol?
The InChIKey is RITBMGUHRQVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)11(18)7-17-6-5-9(16-19)8-3-1-2-4-10(8)17/h1-4,11,18-19H,5-7H2.
What are the key properties of 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol has a molecular weight of 274.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 77033652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).