7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline

C16H9BrF3NO — CID 155344297

IUPAC7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESFC(F)(F)c1cccc(Oc2cc(Br)cc3ncccc23)c1
InChIInChI=1S/C16H9BrF3NO/c17-11-8-14-13(5-2-6-21-14)15(9-11)22-12-4-1-3-10(7-12)16(18,19)20/h1-9H
InChIKeyMIHSTSUFRUMMMN-UHFFFAOYSA-N
MW368.15 g/mol
LogP5.81
Rot. Bonds2

About 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline

7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline (PubChem CID 155344297) has the molecular formula C16H9BrF3NO and a molecular weight of 368.15 g/mol. Its IUPAC name is 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline
PubChem CID155344297
Molecular FormulaC16H9BrF3NO
Molecular Weight368.15 g/mol
Exact Mass366.98
IUPAC Name7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESFC(F)(F)c1cccc(Oc2cc(Br)cc3ncccc23)c1
InChIInChI=1S/C16H9BrF3NO/c17-11-8-14-13(5-2-6-21-14)15(9-11)22-12-4-1-3-10(7-12)16(18,19)20/h1-9H
InChIKeyMIHSTSUFRUMMMN-UHFFFAOYSA-N
XLogP5.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.15
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline (CID 155344297) is 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline is FC(F)(F)c1cccc(Oc2cc(Br)cc3ncccc23)c1.
What is the InChIKey of 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is MIHSTSUFRUMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO/c17-11-8-14-13(5-2-6-21-14)15(9-11)22-12-4-1-3-10(7-12)16(18,19)20/h1-9H.
What are the key properties of 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline?
7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 368.15 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[3-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 155344297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).