1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol

C17H12F3IN2O2 — CID 168825271

IUPAC1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
SMILESCC(O)c1c(I)cc(-c2ccc(OC(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C17H12F3IN2O2/c1-9(24)14-13(21)8-12(15-16(14)23-7-6-22-15)10-2-4-11(5-3-10)25-17(18,19)20/h2-9,24H,1H3
InChIKeyFOMKVANJHNTTRJ-UHFFFAOYSA-N
MW460.19 g/mol
LogP4.85
Rot. Bonds3

About 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol

1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol (PubChem CID 168825271) has the molecular formula C17H12F3IN2O2 and a molecular weight of 460.19 g/mol. Its IUPAC name is 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol.

Molecular Properties

Compound Name1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
PubChem CID168825271
Molecular FormulaC17H12F3IN2O2
Molecular Weight460.19 g/mol
Exact Mass459.99
IUPAC Name1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
SMILESCC(O)c1c(I)cc(-c2ccc(OC(F)(F)F)cc2)c2nccnc12
InChIInChI=1S/C17H12F3IN2O2/c1-9(24)14-13(21)8-12(15-16(14)23-7-6-22-15)10-2-4-11(5-3-10)25-17(18,19)20/h2-9,24H,1H3
InChIKeyFOMKVANJHNTTRJ-UHFFFAOYSA-N
XLogP4.85
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.19
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol 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

N-[[5-(1-hydroxyethyl)-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]prop-2-enamide
CID 168825296
1-[6-iodo-4-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-7-yl]ethane-1,2-diol
CID 168825215
tert-butyl N-[[5-ethenyl-8-[4-(trifluoromethoxy)phenyl]quinoxalin-6-yl]methyl]carbamate
CID 168825643
1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
CID 175886024
6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 168825423
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
tert-butyl N-[[8-(1,2-dihydroxyethyl)-5-[4-(trifluoromethoxy)phenyl]quinolin-7-yl]methyl]carbamate
CID 168825312
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
1-iodo-2-[4-(trifluoromethoxy)phenyl]imidazole
CID 174608293
2,3-diiodo-1-[3-iodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-methylbenzene
CID 144502130
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507

Frequently Asked Questions

What is the IUPAC name of 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol?
The IUPAC name of 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol (CID 168825271) is 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol.
What is the SMILES notation for 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol?
The canonical SMILES for 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol is CC(O)c1c(I)cc(-c2ccc(OC(F)(F)F)cc2)c2nccnc12.
What is the InChIKey of 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol?
The InChIKey is FOMKVANJHNTTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3IN2O2/c1-9(24)14-13(21)8-12(15-16(14)23-7-6-22-15)10-2-4-11(5-3-10)25-17(18,19)20/h2-9,24H,1H3.
What are the key properties of 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol?
1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol has a molecular weight of 460.19 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol is sourced from PubChem (CID 168825271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).