2,4,8-trichloro-6-(trifluoromethyl)quinoline

C10H3Cl3F3N — CID 156808230

IUPAC2,4,8-trichloro-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H3Cl3F3N/c11-6-3-8(13)17-9-5(6)1-4(2-7(9)12)10(14,15)16/h1-3H
InChIKeyLKQSWOIXBJCFHN-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.21
Rot. Bonds

About 2,4,8-trichloro-6-(trifluoromethyl)quinoline

2,4,8-trichloro-6-(trifluoromethyl)quinoline (PubChem CID 156808230) has the molecular formula C10H3Cl3F3N and a molecular weight of 300.49 g/mol. Its IUPAC name is 2,4,8-trichloro-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2,4,8-trichloro-6-(trifluoromethyl)quinoline
PubChem CID156808230
Molecular FormulaC10H3Cl3F3N
Molecular Weight300.49 g/mol
Exact Mass298.93
IUPAC Name2,4,8-trichloro-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H3Cl3F3N/c11-6-3-8(13)17-9-5(6)1-4(2-7(9)12)10(14,15)16/h1-3H
InChIKeyLKQSWOIXBJCFHN-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4,8-trichloro-6-(trifluoromethyl)quinoline 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

1,7-dichloro-3-(trifluoromethyl)naphthalene
CID 90487867
1-chloro-7-methyl-3-(trifluoromethyl)naphthalene
CID 90487855
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
2-chloro-6-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119003399
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
2-chloro-6-(dibromomethyl)-4-(trifluoromethyl)pyridine
CID 87869815
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240
6-bromo-2,4-dichloro-8-methylquinoline
CID 82581146
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
2-chloro-6-(3,5-difluorophenyl)-4-(trifluoromethyl)pyridine
CID 102716375

Frequently Asked Questions

What is the IUPAC name of 2,4,8-trichloro-6-(trifluoromethyl)quinoline?
The IUPAC name of 2,4,8-trichloro-6-(trifluoromethyl)quinoline (CID 156808230) is 2,4,8-trichloro-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2,4,8-trichloro-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2,4,8-trichloro-6-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Cl)c2nc(Cl)cc(Cl)c2c1.
What is the InChIKey of 2,4,8-trichloro-6-(trifluoromethyl)quinoline?
The InChIKey is LKQSWOIXBJCFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3F3N/c11-6-3-8(13)17-9-5(6)1-4(2-7(9)12)10(14,15)16/h1-3H.
What are the key properties of 2,4,8-trichloro-6-(trifluoromethyl)quinoline?
2,4,8-trichloro-6-(trifluoromethyl)quinoline has a molecular weight of 300.49 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trichloro-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 156808230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).