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

C16H10BrF3IN — CID 172643152

IUPAC(3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(I)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrF3IN/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(18,19)20)11-1-4-13(21)5-2-11/h1-7,9H,8H2/t15-/m0/s1
InChIKeyUXFYINUFVPWGQE-HNNXBMFYSA-N
MW480.07 g/mol
LogP5.81
Rot. Bonds1

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

(3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643152) has the molecular formula C16H10BrF3IN and a molecular weight of 480.07 g/mol. Its IUPAC name is (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643152
Molecular FormulaC16H10BrF3IN
Molecular Weight480.07 g/mol
Exact Mass478.90
IUPAC Name(3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFC(F)(F)[C@]1(c2ccc(I)cc2)C=Nc2ccc(Br)cc2C1
InChIInChI=1S/C16H10BrF3IN/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(18,19)20)11-1-4-13(21)5-2-11/h1-7,9H,8H2/t15-/m0/s1
InChIKeyUXFYINUFVPWGQE-HNNXBMFYSA-N
XLogP5.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.07
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643152) is (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline is FC(F)(F)[C@]1(c2ccc(I)cc2)C=Nc2ccc(Br)cc2C1.
What is the InChIKey of (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is UXFYINUFVPWGQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H10BrF3IN/c17-12-3-6-14-10(7-12)8-15(9-22-14,16(18,19)20)11-1-4-13(21)5-2-11/h1-7,9H,8H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-(4-iodophenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 480.07 g/mol, XLogP of 5.81, 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-iodophenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).