(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline

C16H9BrF5N — CID 172643157

IUPAC(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFc1cc(F)cc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)c1
InChIInChI=1S/C16H9BrF5N/c17-11-1-2-14-9(3-11)7-15(8-23-14,16(20,21)22)10-4-12(18)6-13(19)5-10/h1-6,8H,7H2/t15-/m0/s1
InChIKeyUXNWCWWSMZHPSS-HNNXBMFYSA-N
MW390.15 g/mol
LogP5.49
Rot. Bonds1

About (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline

(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643157) has the molecular formula C16H9BrF5N and a molecular weight of 390.15 g/mol. Its IUPAC name is (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643157
Molecular FormulaC16H9BrF5N
Molecular Weight390.15 g/mol
Exact Mass388.98
IUPAC Name(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline
SMILESFc1cc(F)cc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)c1
InChIInChI=1S/C16H9BrF5N/c17-11-1-2-14-9(3-11)7-15(8-23-14,16(20,21)22)10-4-12(18)6-13(19)5-10/h1-6,8H,7H2/t15-/m0/s1
InChIKeyUXNWCWWSMZHPSS-HNNXBMFYSA-N
XLogP5.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.15
LogP ≤ 55.49
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-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline (CID 172643157) is (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline is Fc1cc(F)cc([C@@]2(C(F)(F)F)C=Nc3ccc(Br)cc3C2)c1.
What is the InChIKey of (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is UXNWCWWSMZHPSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H9BrF5N/c17-11-1-2-14-9(3-11)7-15(8-23-14,16(20,21)22)10-4-12(18)6-13(19)5-10/h1-6,8H,7H2/t15-/m0/s1.
What are the key properties of (3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline?
(3R)-6-bromo-3-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 390.15 g/mol, XLogP of 5.49, 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-(3,5-difluorophenyl)-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).