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

C16H11BrF3N — CID 172643139

IUPAC(3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccccc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H11BrF3N/c17-13-6-7-14-11(8-13)9-15(10-21-14,16(18,19)20)12-4-2-1-3-5-12/h1-8,10H,9H2/t15-/m0/s1
InChIKeyXZSSTULLFYZZSF-HNNXBMFYSA-N
MW354.17 g/mol
LogP5.21
Rot. Bonds1

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

(3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643139) has the molecular formula C16H11BrF3N and a molecular weight of 354.17 g/mol. Its IUPAC name is (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643139
Molecular FormulaC16H11BrF3N
Molecular Weight354.17 g/mol
Exact Mass353.00
IUPAC Name(3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccccc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H11BrF3N/c17-13-6-7-14-11(8-13)9-15(10-21-14,16(18,19)20)12-4-2-1-3-5-12/h1-8,10H,9H2/t15-/m0/s1
InChIKeyXZSSTULLFYZZSF-HNNXBMFYSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.17
LogP ≤ 55.21
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-phenyl-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline (CID 172643139) is (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline is FC(F)(F)[C@]1(c2ccccc2)C=Nc2ccc(Br)cc2C1.
What is the InChIKey of (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is XZSSTULLFYZZSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11BrF3N/c17-13-6-7-14-11(8-13)9-15(10-21-14,16(18,19)20)12-4-2-1-3-5-12/h1-8,10H,9H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-phenyl-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 354.17 g/mol, XLogP of 5.21, 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-phenyl-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).