6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline

C13H11BrF3NO — CID 22279301

IUPAC6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
SMILESCC(C)Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1
InChIInChI=1S/C13H11BrF3NO/c1-7(2)19-12-6-10(13(15,16)17)9-5-8(14)3-4-11(9)18-12/h3-7H,1-2H3
InChIKeyQZNRTJWBIRVRFA-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.80
Rot. Bonds2

About 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline

6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline (PubChem CID 22279301) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
PubChem CID22279301
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
SMILESCC(C)Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1
InChIInChI=1S/C13H11BrF3NO/c1-7(2)19-12-6-10(13(15,16)17)9-5-8(14)3-4-11(9)18-12/h3-7H,1-2H3
InChIKeyQZNRTJWBIRVRFA-UHFFFAOYSA-N
XLogP4.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The IUPAC name of 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline (CID 22279301) is 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The canonical SMILES for 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline is CC(C)Oc1cc(C(F)(F)F)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The InChIKey is QZNRTJWBIRVRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-7(2)19-12-6-10(13(15,16)17)9-5-8(14)3-4-11(9)18-12/h3-7H,1-2H3.
What are the key properties of 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline has a molecular weight of 334.14 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 22279301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).