8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline

C14H13F4N3 — CID 2774821

IUPAC8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(N3CCNCC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2
InChIKeyJPOBXWMBLUOGGO-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.80
Rot. Bonds1

About 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline

8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline (PubChem CID 2774821) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
PubChem CID2774821
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(N3CCNCC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2
InChIKeyJPOBXWMBLUOGGO-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline (CID 2774821) is 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline is Fc1cccc2c(N3CCNCC3)cc(C(F)(F)F)nc12.
What is the InChIKey of 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
The InChIKey is JPOBXWMBLUOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c15-10-3-1-2-9-11(21-6-4-19-5-7-21)8-12(14(16,17)18)20-13(9)10/h1-3,8,19H,4-7H2.
What are the key properties of 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline?
8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline has a molecular weight of 299.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-piperazin-1-yl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2774821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).