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

C17H10BrF6N — CID 172643147

IUPAC(3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline
SMILESFC(F)(F)c1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H10BrF6N/c18-13-5-6-14-10(7-13)8-15(9-25-14,17(22,23)24)11-1-3-12(4-2-11)16(19,20)21/h1-7,9H,8H2/t15-/m0/s1
InChIKeyGOXNHVHYDDIWHO-HNNXBMFYSA-N
MW422.17 g/mol
LogP6.23
Rot. Bonds1

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

(3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline (PubChem CID 172643147) has the molecular formula C17H10BrF6N and a molecular weight of 422.17 g/mol. Its IUPAC name is (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline
PubChem CID172643147
Molecular FormulaC17H10BrF6N
Molecular Weight422.17 g/mol
Exact Mass420.99
IUPAC Name(3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline
SMILESFC(F)(F)c1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C17H10BrF6N/c18-13-5-6-14-10(7-13)8-15(9-25-14,17(22,23)24)11-1-3-12(4-2-11)16(19,20)21/h1-7,9H,8H2/t15-/m0/s1
InChIKeyGOXNHVHYDDIWHO-HNNXBMFYSA-N
XLogP6.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.17
LogP ≤ 56.23
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-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline (CID 172643147) is (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline is FC(F)(F)c1ccc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)cc1.
What is the InChIKey of (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline?
The InChIKey is GOXNHVHYDDIWHO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H10BrF6N/c18-13-5-6-14-10(7-13)8-15(9-25-14,17(22,23)24)11-1-3-12(4-2-11)16(19,20)21/h1-7,9H,8H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline?
(3R)-6-bromo-3-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline has a molecular weight of 422.17 g/mol, XLogP of 6.23, 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-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-4H-quinoline is sourced from PubChem (CID 172643147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).