6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline

C10H2BrCl3F3N — CID 107792857

IUPAC6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C10H2BrCl3F3N/c11-4-1-3-5(12)2-6(10(15,16)17)18-9(3)8(14)7(4)13/h1-2H
InChIKeyVBFGFHCBFHEBFO-UHFFFAOYSA-N
MW379.39 g/mol
LogP5.98
Rot. Bonds

About 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline

6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline (PubChem CID 107792857) has the molecular formula C10H2BrCl3F3N and a molecular weight of 379.39 g/mol. Its IUPAC name is 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
PubChem CID107792857
Molecular FormulaC10H2BrCl3F3N
Molecular Weight379.39 g/mol
Exact Mass376.84
IUPAC Name6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C10H2BrCl3F3N/c11-4-1-3-5(12)2-6(10(15,16)17)18-9(3)8(14)7(4)13/h1-2H
InChIKeyVBFGFHCBFHEBFO-UHFFFAOYSA-N
XLogP5.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4,7,8-trichloro-2-methylquinoline
CID 107792863
4-chloro-6,7,8-trifluoro-2-(trifluoromethyl)quinoline
CID 43668790
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
2-bromo-3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118995680
4-chloro-2-(trifluoromethyl)quinoline
CID 2736709
4-chloro-2-(trifluoromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
CID 43668589
6-bromo-8-chloro-N-ethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479069
8-chloro-4-[[8-chloro-2-(trifluoromethyl)quinolin-4-yl]disulfanyl]-2-(trifluoromethyl)quinoline
CID 10414490
4-chloro-5,6,8-trifluoro-2-(trifluoromethyl)quinoline
CID 62811306
4-chloro-5,8-dimethyl-2-(trifluoromethyl)quinoline
CID 43668724
6-bromo-7,8-dichloro-2-(difluoromethyl)-N-methylquinolin-4-amine
CID 114002166

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline (CID 107792857) is 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1.
What is the InChIKey of 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline?
The InChIKey is VBFGFHCBFHEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2BrCl3F3N/c11-4-1-3-5(12)2-6(10(15,16)17)18-9(3)8(14)7(4)13/h1-2H.
What are the key properties of 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline?
6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline has a molecular weight of 379.39 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,7,8-trichloro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 107792857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).