4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline

C11H5F6N — CID 130246716

IUPAC4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1
InChIInChI=1S/C11H5F6N/c12-5-1-2-8-6(3-5)7(10(13)14)4-9(18-8)11(15,16)17/h1-4,10H
InChIKeyQLAABJOOTUONTI-UHFFFAOYSA-N
MW265.16 g/mol
LogP4.33
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline

4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline (PubChem CID 130246716) has the molecular formula C11H5F6N and a molecular weight of 265.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
PubChem CID130246716
Molecular FormulaC11H5F6N
Molecular Weight265.16 g/mol
Exact Mass265.03
IUPAC Name4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1
InChIInChI=1S/C11H5F6N/c12-5-1-2-8-6(3-5)7(10(13)14)4-9(18-8)11(15,16)17/h1-4,10H
InChIKeyQLAABJOOTUONTI-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline (CID 130246716) is 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline is Fc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline?
The InChIKey is QLAABJOOTUONTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N/c12-5-1-2-8-6(3-5)7(10(13)14)4-9(18-8)11(15,16)17/h1-4,10H.
What are the key properties of 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline?
4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline has a molecular weight of 265.16 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 130246716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).