6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C16H12BrClF3N — CID 132590193

IUPAC6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1cc(Br)cc2c1NC(c1ccccc1Cl)CC2
InChIInChI=1S/C16H12BrClF3N/c17-10-7-9-5-6-14(11-3-1-2-4-13(11)18)22-15(9)12(8-10)16(19,20)21/h1-4,7-8,14,22H,5-6H2
InChIKeySWTARSWWBADISW-UHFFFAOYSA-N
MW390.63 g/mol
LogP6.22
Rot. Bonds1

About 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132590193) has the molecular formula C16H12BrClF3N and a molecular weight of 390.63 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132590193
Molecular FormulaC16H12BrClF3N
Molecular Weight390.63 g/mol
Exact Mass388.98
IUPAC Name6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)c1cc(Br)cc2c1NC(c1ccccc1Cl)CC2
InChIInChI=1S/C16H12BrClF3N/c17-10-7-9-5-6-14(11-3-1-2-4-13(11)18)22-15(9)12(8-10)16(19,20)21/h1-4,7-8,14,22H,5-6H2
InChIKeySWTARSWWBADISW-UHFFFAOYSA-N
XLogP6.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.63
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 132590303
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
2-(2-chlorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4312167
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
2-(2-chlorophenyl)-7-ethyl-2,3-dihydro-1H-indole
CID 5035963
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-bromo-7-chloro-2,3-dihydro-1H-inden-1-ol
CID 155906276

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 132590193) is 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)c1cc(Br)cc2c1NC(c1ccccc1Cl)CC2.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is SWTARSWWBADISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3N/c17-10-7-9-5-6-14(11-3-1-2-4-13(11)18)22-15(9)12(8-10)16(19,20)21/h1-4,7-8,14,22H,5-6H2.
What are the key properties of 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 390.63 g/mol, XLogP of 6.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132590193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).