(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline

C16H10BrClF3N — CID 172643150

IUPAC(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(Cl)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrClF3N/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(19,20)21)11-1-4-13(18)5-2-11/h1-7,9H,8H2/t15-/m0/s1
InChIKeyXKENWSGYAVXJID-HNNXBMFYSA-N
MW388.61 g/mol
LogP5.86
Rot. Bonds1

About (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline

(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643150) has the molecular formula C16H10BrClF3N and a molecular weight of 388.61 g/mol. Its IUPAC name is (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643150
Molecular FormulaC16H10BrClF3N
Molecular Weight388.61 g/mol
Exact Mass386.96
IUPAC Name(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(Cl)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrClF3N/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(19,20)21)11-1-4-13(18)5-2-11/h1-7,9H,8H2/t15-/m0/s1
InChIKeyXKENWSGYAVXJID-HNNXBMFYSA-N
XLogP5.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643150) is (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline is FC(F)(F)[C@]1(c2ccc(Cl)cc2)C=Nc2ccc(Br)cc2C1.
What is the InChIKey of (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is XKENWSGYAVXJID-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H10BrClF3N/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(19,20)21)11-1-4-13(18)5-2-11/h1-7,9H,8H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 388.61 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-bromo-3-(4-chlorophenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).