(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline

C16H10BrF4N — CID 172643282

IUPAC(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFc1ccccc1[C@@]1(C(F)(F)F)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrF4N/c17-11-5-6-14-10(7-11)8-15(9-22-14,16(19,20)21)12-3-1-2-4-13(12)18/h1-7,9H,8H2/t15-/m0/s1
InChIKeyQWYKERSQFANQKU-HNNXBMFYSA-N
MW372.16 g/mol
LogP5.35
Rot. Bonds1

About (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline

(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643282) has the molecular formula C16H10BrF4N and a molecular weight of 372.16 g/mol. Its IUPAC name is (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643282
Molecular FormulaC16H10BrF4N
Molecular Weight372.16 g/mol
Exact Mass370.99
IUPAC Name(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFc1ccccc1[C@@]1(C(F)(F)F)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrF4N/c17-11-5-6-14-10(7-11)8-15(9-22-14,16(19,20)21)12-3-1-2-4-13(12)18/h1-7,9H,8H2/t15-/m0/s1
InChIKeyQWYKERSQFANQKU-HNNXBMFYSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.16
LogP ≤ 55.35
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-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643282) is (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline is Fc1ccccc1[C@@]1(C(F)(F)F)C=Nc2ccc(Br)cc2C1.
What is the InChIKey of (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is QWYKERSQFANQKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H10BrF4N/c17-11-5-6-14-10(7-11)8-15(9-22-14,16(19,20)21)12-3-1-2-4-13(12)18/h1-7,9H,8H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 372.16 g/mol, XLogP of 5.35, 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-(2-fluorophenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).