3,4-dimethoxy-2-(trifluoromethyl)quinoline

C12H10F3NO2 — CID 69305906

IUPAC3,4-dimethoxy-2-(trifluoromethyl)quinoline
SMILESCOc1c(C(F)(F)F)nc2ccccc2c1OC
InChIInChI=1S/C12H10F3NO2/c1-17-9-7-5-3-4-6-8(7)16-11(10(9)18-2)12(13,14)15/h3-6H,1-2H3
InChIKeyHBDZLDSTURBTIL-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.27
Rot. Bonds2

About 3,4-dimethoxy-2-(trifluoromethyl)quinoline

3,4-dimethoxy-2-(trifluoromethyl)quinoline (PubChem CID 69305906) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3,4-dimethoxy-2-(trifluoromethyl)quinoline
PubChem CID69305906
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3,4-dimethoxy-2-(trifluoromethyl)quinoline
SMILESCOc1c(C(F)(F)F)nc2ccccc2c1OC
InChIInChI=1S/C12H10F3NO2/c1-17-9-7-5-3-4-6-8(7)16-11(10(9)18-2)12(13,14)15/h3-6H,1-2H3
InChIKeyHBDZLDSTURBTIL-UHFFFAOYSA-N
XLogP3.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)quinoline (CID 69305906) is 3,4-dimethoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 3,4-dimethoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 3,4-dimethoxy-2-(trifluoromethyl)quinoline is COc1c(C(F)(F)F)nc2ccccc2c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(trifluoromethyl)quinoline?
The InChIKey is HBDZLDSTURBTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-17-9-7-5-3-4-6-8(7)16-11(10(9)18-2)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 3,4-dimethoxy-2-(trifluoromethyl)quinoline?
3,4-dimethoxy-2-(trifluoromethyl)quinoline has a molecular weight of 257.21 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 69305906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).